#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 2.33 -0.04 3.17 5.04 -1.26 -4.79 117.35 121.80 2k87 s TYR 2 Ca 0.00 0.27 0.07 0.00 -2.44 0.00 0.00 57.07 54.97 2k87 s TYR 2 Cb 0.00 -4.50 0.11 0.00 0.35 0.00 0.00 41.96 37.92 2k87 s TYR 2 CO 0.00 -1.94 1.05 2.41 -1.34 0.00 0.00 175.55 175.74 2k87 n THR 3 N 6.64 0.55 -1.13 4.34 -1.04 -1.26 -5.12 114.28 117.26 2k87 n THR 3 Ca 0.08 -0.72 -0.29 0.00 -2.04 0.00 0.00 64.05 61.08 2k87 n THR 3 Cb 0.49 0.31 0.20 0.00 -1.82 0.00 0.00 70.33 69.51 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 -0.83 -0.07 0.67 -2.82 2.12 -1.26 -5.00 118.70 111.50 2k87 s GLU 4 Ca 0.11 0.37 -0.17 0.00 0.36 0.00 0.00 54.97 55.64 2k87 s GLU 4 Cb 0.10 -1.69 0.00 0.00 0.26 0.00 0.00 34.13 32.80 2k87 s GLU 4 CO -0.00 -3.03 1.26 1.14 -0.54 0.00 0.00 175.26 174.09 2k87 s GLN 5 N -5.05 2.47 0.79 4.30 -2.07 -1.26 -5.03 119.66 113.81 2k87 s GLN 5 Ca 0.67 1.97 -0.11 0.00 -1.82 0.00 0.00 55.36 56.06 2k87 s GLN 5 Cb -0.17 -1.85 0.07 0.00 -1.09 0.00 0.00 33.01 29.98 2k87 s GLN 5 CO 0.58 -1.64 1.16 -1.25 -1.32 0.00 0.00 175.29 172.81 2k87 s PRO 6 N -3.51 2.06 -0.98 9.60 0.04 -1.26 -4.94 135.00 136.01 2k87 s PRO 6 Ca 0.80 0.10 -0.24 0.00 0.04 0.00 0.00 61.00 61.71 2k87 s PRO 6 Cb -0.35 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 2k87 s PRO 6 CO 0.40 -1.52 1.85 0.42 0.04 0.00 0.00 177.00 178.20 2k87 s ILE 7 N -3.53 3.58 -0.37 0.56 1.09 -1.26 -4.31 121.20 116.96 2k87 s ILE 7 Ca 0.61 -0.58 -0.05 0.00 -1.10 0.00 0.00 60.65 59.54 2k87 s ILE 7 Cb -0.11 -4.33 0.05 0.00 -1.06 0.00 0.00 42.46 37.01 2k87 s ILE 7 CO 0.49 -1.18 0.12 -0.67 -0.10 0.00 0.00 174.94 173.60 2k87 n ASP 8 N 12.88 -0.81 -4.60 3.58 2.03 -1.26 -4.79 116.55 123.57 2k87 n ASP 8 Ca 0.40 -0.01 -0.42 0.00 0.52 0.00 0.00 54.79 55.28 2k87 n ASP 8 Cb 0.48 -0.77 -0.05 0.00 -0.72 0.00 0.00 41.12 40.05 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 -3.81 4.12 -0.07 -2.67 2.96 -1.26 -3.88 118.68 114.08 2k87 s LEU 9 Ca 0.16 0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.59 2k87 s LEU 9 Cb -0.10 -2.97 0.01 0.00 0.50 0.00 0.00 46.19 43.63 2k87 s LEU 9 CO 0.20 -0.60 -0.13 0.68 -1.32 0.00 0.00 176.35 175.18 2k87 s VAL 10 N 2.88 1.21 0.83 1.68 -7.23 -0.51 -4.92 120.40 114.33 2k87 s VAL 10 Ca 0.30 -0.52 -0.12 0.00 -1.81 0.00 0.00 61.98 59.83 2k87 s VAL 10 Cb -0.14 -1.10 0.10 0.00 0.56 0.00 0.00 36.38 35.80 2k87 s VAL 10 CO 0.13 0.37 1.15 -2.84 -0.31 0.00 0.00 175.10 173.61 2k87 s PRO 11 N 0.64 1.60 0.00 4.82 0.02 -1.26 -0.40 135.00 140.42 2k87 s PRO 11 Ca -0.15 1.54 0.00 0.00 0.02 0.00 0.00 61.00 62.41 2k87 s PRO 11 Cb -0.16 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.57 2k87 s PRO 11 CO 0.04 -2.19 0.00 -2.37 -0.33 0.00 0.00 177.00 172.15 2k87 n THR 12 N -3.63 0.00 -4.26 0.99 5.66 -1.05 -4.68 114.28 107.31 2k87 n THR 12 Ca 0.12 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.97 2k87 n THR 12 Cb 0.52 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.20 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 -1.73 1.29 0.80 1.09 1.11 -1.26 -3.64 119.66 117.32 2k87 s GLN 13 Ca 0.00 -1.69 -0.10 0.00 0.01 0.00 0.00 55.36 53.58 2k87 s GLN 13 Cb 0.00 -0.04 0.07 0.00 -1.01 0.00 0.00 33.01 32.03 2k87 s GLN 13 CO 0.00 -0.32 1.10 -1.25 0.01 0.00 0.00 175.29 174.83 2k87 s PRO 14 N -4.08 2.03 0.66 2.91 0.04 -1.26 -4.83 135.00 130.48 2k87 s PRO 14 Ca 0.37 1.24 -0.14 0.00 0.04 0.00 0.00 61.00 62.50 2k87 s PRO 14 Cb 0.07 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2k87 s PRO 14 CO 0.12 -1.83 1.10 -0.51 0.04 0.00 0.00 177.00 175.92 2k87 s LEU 15 N -6.05 3.35 0.33 -3.56 2.01 -1.25 -4.99 118.68 108.52 2k87 s LEU 15 Ca 0.62 1.94 -0.20 0.00 0.01 0.00 0.00 54.13 56.50 2k87 s LEU 15 Cb -0.18 -4.54 -0.10 0.00 0.01 0.00 0.00 46.19 41.38 2k87 s LEU 15 CO 0.56 -1.60 0.83 -2.16 1.01 0.00 0.00 176.35 174.99 2k87 s PRO 16 N -4.22 4.23 -0.88 1.29 0.04 -1.26 -3.57 135.00 130.63 2k87 s PRO 16 Ca 0.65 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2k87 s PRO 16 Cb -0.19 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2k87 s PRO 16 CO 0.43 0.18 0.00 0.09 0.04 0.00 0.00 177.00 177.74 2k87 n ASN 17 N -0.03 -5.65 -4.68 6.66 3.02 -1.26 -4.77 115.26 108.55 2k87 n ASN 17 Ca 0.03 0.20 -0.35 0.00 -0.03 0.00 0.00 54.58 54.44 2k87 n ASN 17 Cb 0.52 -3.88 0.11 0.00 -0.61 0.00 0.00 39.78 35.92 2k87 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k87 n ALA 18 N 1.15 0.17 -3.69 5.41 0.00 -1.23 -3.32 120.51 119.00 2k87 n ALA 18 Ca -0.08 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 2k87 n ALA 18 Cb 0.55 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.66 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 -1.86 -0.50 0.37 0.00 1.04 0.33 -4.92 113.70 108.16 2k87 s SER 19 Ca 0.75 0.92 -0.28 0.00 0.48 0.00 0.00 55.95 57.83 2k87 s SER 19 Cb -0.32 0.85 -0.11 0.00 0.10 0.00 0.00 66.02 66.54 2k87 s SER 19 CO 0.48 -0.20 1.45 0.12 0.98 0.00 0.00 173.24 176.08 2k87 s PHE 20 N 1.54 2.68 0.00 5.02 5.36 -1.26 -2.41 117.98 128.90 2k87 s PHE 20 Ca -0.09 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.09 2k87 s PHE 20 Cb -0.09 -3.96 0.00 0.00 -0.34 0.00 0.00 43.02 38.63 2k87 s PHE 20 CO -0.13 -2.79 0.00 -3.47 -1.46 0.00 0.00 175.22 167.37 2k87 n ASP 21 N 0.56 0.03 -0.41 6.13 2.03 -1.26 -4.95 116.55 118.67 2k87 n ASP 21 Ca 0.01 -0.51 0.13 0.00 0.52 0.00 0.00 54.79 54.94 2k87 n ASP 21 Cb 0.40 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.13 2k87 n ASP 21 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k87 n ASN 22 N -1.51 1.49 -4.58 1.67 4.13 -1.26 -4.96 115.26 110.23 2k87 n ASN 22 Ca 0.00 -1.25 -0.37 0.00 1.68 0.00 0.00 54.58 54.64 2k87 n ASN 22 Cb 0.00 0.14 0.07 0.00 -1.54 0.00 0.00 39.78 38.45 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 -0.15 0.40 -4.35 3.10 1.16 -1.26 -2.39 117.46 113.96 2k87 n PHE 23 Ca 0.14 0.40 -0.25 0.00 -1.87 0.00 0.00 57.45 55.87 2k87 n PHE 23 Cb 0.39 -2.07 -0.09 0.00 -1.61 0.00 0.00 39.48 36.10 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 -2.95 1.99 -0.05 3.97 2.20 0.19 -4.86 119.74 120.22 2k87 s LYS 24 Ca 0.73 -1.48 -0.03 0.00 -0.36 0.00 0.00 55.97 54.83 2k87 s LYS 24 Cb -0.38 -2.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.88 2k87 s LYS 24 CO 0.50 0.38 0.09 -0.51 -0.36 0.00 0.00 175.35 175.45 2k87 s LEU 25 N -3.29 4.02 0.11 5.43 1.02 -1.26 -0.87 118.68 123.84 2k87 s LEU 25 Ca 0.28 0.25 0.00 0.00 0.02 0.00 0.00 54.13 54.68 2k87 s LEU 25 Cb -0.07 -2.18 -0.04 0.00 0.02 0.00 0.00 46.19 43.92 2k87 s LEU 25 CO 0.16 0.33 0.00 0.42 0.02 0.00 0.00 176.35 177.28 2k87 s THR 26 N -1.11 0.35 0.10 5.49 -4.23 0.38 -4.76 115.64 111.85 2k87 s THR 26 Ca 0.20 -1.90 -0.26 0.00 -1.18 0.00 0.00 61.69 58.54 2k87 s THR 26 Cb -0.12 -1.87 0.09 0.00 1.34 0.00 0.00 72.50 71.94 2k87 s THR 26 CO 0.10 -0.67 1.11 0.00 -0.54 0.00 0.00 174.62 174.61 2k87 h SER 28 N 2.00 -0.86 -2.25 0.00 0.87 -2.01 -3.39 113.55 107.91 2k87 h SER 28 Ca -0.27 0.09 -0.52 0.00 -1.23 0.00 0.00 61.79 59.86 2k87 h SER 28 Cb 1.21 0.32 -0.03 0.00 -0.44 0.00 0.00 62.40 63.47 2k87 h SER 28 CO 0.30 -0.28 1.32 0.21 -0.53 0.00 0.00 176.83 177.84 2k87 s ASN 29 N -3.65 5.50 0.08 6.23 3.84 -1.26 -4.86 114.94 120.81 2k87 s ASN 29 Ca -0.08 0.64 -0.26 0.00 0.21 0.00 0.00 52.86 53.37 2k87 s ASN 29 Cb 0.03 -2.53 -0.16 0.00 -0.55 0.00 0.00 41.25 38.04 2k87 s ASN 29 CO 0.32 -2.14 1.70 0.71 -2.79 0.00 0.00 177.10 174.89 2k87 h THR 30 N 6.85 0.82 -0.32 -5.21 1.35 -1.94 -2.97 112.91 111.49 2k87 h THR 30 Ca -0.28 -0.03 0.07 0.00 -0.55 0.00 0.00 66.41 65.62 2k87 h THR 30 Cb 1.16 0.84 -0.07 0.00 -1.73 0.00 0.00 68.15 68.35 2k87 h THR 30 CO 1.16 0.01 -0.16 0.50 -0.25 0.00 0.00 175.52 176.78 2k87 h LYS 31 N -0.26 -0.11 -0.27 4.72 1.63 -1.95 -1.74 116.57 118.59 2k87 h LYS 31 Ca -0.03 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.83 2k87 h LYS 31 Cb 0.20 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.78 2k87 h LYS 31 CO 0.04 -0.07 -0.46 0.35 -3.45 0.00 0.00 179.45 175.86 2k87 h PHE 32 N -0.11 -1.35 -0.32 1.91 3.57 -1.78 0.48 116.94 119.34 2k87 h PHE 32 Ca 0.16 0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 2k87 h PHE 32 Cb 0.36 0.63 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 2k87 h PHE 32 CO -0.36 -0.48 -0.15 0.00 -2.23 0.00 0.00 178.31 175.09 2k87 h ALA 33 N 0.15 1.13 -0.23 2.41 0.00 -1.46 -2.18 119.26 119.09 2k87 h ALA 33 Ca 0.09 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2k87 h ALA 33 Cb 0.62 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k87 h ALA 33 CO -0.50 0.54 -0.18 0.22 0.00 0.00 0.00 179.25 179.34 2k87 h ASP 34 N 0.52 0.55 -0.15 0.00 3.58 -0.33 0.76 116.42 121.35 2k87 h ASP 34 Ca 0.09 -0.45 0.03 0.00 0.42 0.00 0.00 57.03 57.12 2k87 h ASP 34 Cb 0.57 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2k87 h ASP 34 CO 0.04 0.88 -0.01 -0.78 -2.88 0.00 0.00 179.24 176.49 2k87 h ASP 35 N 0.22 -0.09 -0.37 2.28 1.82 -0.93 -0.55 116.42 118.81 2k87 h ASP 35 Ca 0.04 0.04 0.02 0.00 -0.39 0.00 0.00 57.03 56.74 2k87 h ASP 35 Cb 0.71 0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 2k87 h ASP 35 CO 0.05 -0.02 0.20 -0.07 -1.61 0.00 0.00 179.24 177.78 2k87 h LEU 36 N 0.03 0.31 -0.86 2.28 4.07 -1.28 -2.25 115.31 117.60 2k87 h LEU 36 Ca 0.07 0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.05 2k87 h LEU 36 Cb 0.09 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 2k87 h LEU 36 CO -0.13 0.22 0.56 0.78 -1.08 0.00 0.00 178.44 178.80 2k87 h ASN 37 N 0.40 0.99 -0.48 -0.43 2.35 -0.50 -2.29 115.58 115.62 2k87 h ASN 37 Ca 0.15 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2k87 h ASN 37 Cb 0.04 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 2k87 h ASN 37 CO -0.09 0.73 0.25 1.56 -1.65 0.00 0.00 177.43 178.23 2k87 h GLN 38 N 1.17 0.72 -0.32 0.81 1.08 -0.72 -2.37 115.11 115.47 2k87 h GLN 38 Ca 0.31 -0.08 -0.12 0.00 -1.45 0.00 0.00 58.65 57.31 2k87 h GLN 38 Cb -0.12 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.15 2k87 h GLN 38 CO -0.07 0.56 -0.30 0.52 -0.95 0.00 0.00 178.83 178.60 2k87 h MET 39 N 0.72 0.67 0.00 1.46 2.86 -0.84 -3.31 114.93 116.50 2k87 h MET 39 Ca 0.18 -0.30 -0.10 0.00 -2.06 0.00 0.00 59.70 57.43 2k87 h MET 39 Cb 0.07 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2k87 h MET 39 CO -0.03 0.89 -1.29 -2.37 1.06 0.00 0.00 176.91 175.17 2k87 n THR 40 N -4.08 0.92 0.00 2.22 5.66 -0.96 -4.98 114.28 113.06 2k87 n THR 40 Ca -0.01 -0.63 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 2k87 n THR 40 Cb 0.46 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 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 1.31 0.84 3.61 1.09 0.00 -0.94 -4.97 105.19 106.13 2k87 n GLY 41 Ca -0.06 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 1.62 -4.06 1.61 7.35 -0.94 -5.00 117.46 118.04 2k87 n PHE 42 Ca 0.00 0.61 -0.13 0.00 -0.76 0.00 0.00 57.45 57.17 2k87 n PHE 42 Cb 0.00 -2.36 -0.12 0.00 0.35 0.00 0.00 39.48 37.35 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 1.02 0.45 0.49 -2.13 2.01 -1.26 -4.89 115.64 111.33 2k87 s THR 43 Ca 0.87 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 2k87 s THR 43 Cb -0.97 -0.51 0.01 0.00 0.01 0.00 0.00 72.50 71.04 2k87 s THR 43 CO 0.50 -0.33 0.73 -0.54 -0.69 0.00 0.00 174.62 174.28 2k87 s LYS 44 N -1.36 2.90 0.24 4.92 1.02 -1.26 -4.09 119.74 122.11 2k87 s LYS 44 Ca -0.09 -0.52 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 2k87 s LYS 44 Cb -0.09 -2.51 -0.10 0.00 -0.52 0.00 0.00 37.83 34.62 2k87 s LYS 44 CO 0.00 -0.45 1.35 -2.14 -0.92 0.00 0.00 175.35 173.20 2k87 s PRO 45 N -4.66 4.34 0.32 -1.68 0.02 -1.26 -5.11 135.00 126.96 2k87 s PRO 45 Ca 0.51 2.17 -0.29 0.00 0.02 0.00 0.00 61.00 63.42 2k87 s PRO 45 Cb -0.10 -3.14 -0.10 0.00 0.02 0.00 0.00 34.50 31.18 2k87 s PRO 45 CO 0.39 -0.29 1.25 0.00 -0.33 0.00 0.00 177.00 178.02 2k87 s ALA 46 N -0.20 3.47 0.41 -1.55 0.00 -1.26 -4.92 121.76 117.72 2k87 s ALA 46 Ca 0.56 1.16 0.08 0.00 0.00 0.00 0.00 51.96 53.76 2k87 s ALA 46 Cb -0.39 -3.44 0.85 0.00 0.00 0.00 0.00 23.12 20.15 2k87 s ALA 46 CO 0.43 -0.51 2.02 1.03 0.00 0.00 0.00 175.76 178.72 2k87 h SER 47 N 3.53 0.38 -5.61 0.00 0.87 -1.80 -3.47 113.55 107.45 2k87 h SER 47 Ca -0.48 -0.03 0.27 0.00 -1.23 0.00 0.00 61.79 60.32 2k87 h SER 47 Cb 1.22 -0.10 -0.11 0.00 -0.44 0.00 0.00 62.40 62.98 2k87 h SER 47 CO 0.66 0.34 0.70 0.00 -0.53 0.00 0.00 176.83 178.01 2k87 s ARG 48 N -5.23 0.69 -0.14 2.24 1.70 -1.26 -4.97 118.95 111.99 2k87 s ARG 48 Ca -0.07 -0.38 -0.02 0.00 -0.47 0.00 0.00 55.73 54.79 2k87 s ARG 48 Cb 0.17 0.23 0.04 0.00 -0.57 0.00 0.00 34.95 34.82 2k87 s ARG 48 CO 0.73 -0.32 0.01 -1.21 -1.08 0.00 0.00 175.30 173.43 2k87 s GLU 49 N -2.74 0.76 -0.17 3.89 2.02 -1.26 -0.64 118.70 120.56 2k87 s GLU 49 Ca 0.13 -0.21 -0.09 0.00 0.02 0.00 0.00 54.97 54.83 2k87 s GLU 49 Cb 0.03 -1.62 -0.05 0.00 0.10 0.00 0.00 34.13 32.59 2k87 s GLU 49 CO -0.02 -0.47 0.13 -0.51 0.02 0.00 0.00 175.26 174.41 2k87 s LEU 50 N 1.88 4.23 0.09 1.80 1.43 -0.05 -4.92 118.68 123.13 2k87 s LEU 50 Ca 0.02 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 2k87 s LEU 50 Cb -0.15 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 2k87 s LEU 50 CO -0.07 0.26 0.08 -0.44 0.23 0.00 0.00 176.35 176.41 2k87 s SER 51 N -0.12 5.52 0.10 2.29 0.01 -1.26 -0.47 113.70 119.77 2k87 s SER 51 Ca 0.10 -0.02 0.07 0.00 1.31 0.00 0.00 55.95 57.40 2k87 s SER 51 Cb -0.11 -1.48 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 2k87 s SER 51 CO 0.00 0.16 -0.09 -0.69 0.41 0.00 0.00 173.24 173.03 2k87 s VAL 52 N -1.43 3.44 -0.01 3.43 1.01 -0.38 -1.22 120.40 125.24 2k87 s VAL 52 Ca 0.29 -1.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 2k87 s VAL 52 Cb -0.12 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.67 2k87 s VAL 52 CO 0.22 0.12 0.02 0.42 0.00 0.00 0.00 175.10 175.89 2k87 s THR 53 N -1.22 -0.04 -0.20 3.92 -4.23 -1.03 -4.51 115.64 108.33 2k87 s THR 53 Ca 0.22 0.15 -0.15 0.00 -1.18 0.00 0.00 61.69 60.73 2k87 s THR 53 Cb -0.11 -0.06 -0.04 0.00 1.34 0.00 0.00 72.50 73.62 2k87 s THR 53 CO 0.14 0.06 0.35 -0.36 -0.54 0.00 0.00 174.62 174.27 2k87 s PHE 54 N 0.75 3.38 0.71 3.99 0.08 -1.25 0.01 117.98 125.66 2k87 s PHE 54 Ca -0.06 0.55 -0.16 0.00 0.12 0.00 0.00 56.93 57.38 2k87 s PHE 54 Cb -0.09 -2.46 0.01 0.00 -0.57 0.00 0.00 43.02 39.91 2k87 s PHE 54 CO -0.02 0.03 1.09 0.34 -0.10 0.00 0.00 175.22 176.57 2k87 n PHE 55 N 4.32 1.11 -2.18 0.36 7.35 -0.99 -1.05 117.46 126.37 2k87 n PHE 55 Ca -0.10 0.41 -0.33 0.00 -0.76 0.00 0.00 57.45 56.66 2k87 n PHE 55 Cb 0.51 -2.14 -0.04 0.00 0.35 0.00 0.00 39.48 38.17 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 -3.46 2.82 -0.06 -7.13 0.04 -1.26 -5.04 135.00 120.91 2k87 s PRO 56 Ca 0.76 -0.23 -0.02 0.00 0.04 0.00 0.00 61.00 61.55 2k87 s PRO 56 Cb -0.35 -4.88 0.04 0.00 0.04 0.00 0.00 34.50 29.35 2k87 s PRO 56 CO 0.48 -2.90 0.12 0.34 0.04 0.00 0.00 177.00 175.07 2k87 s ASP 57 N 7.11 0.10 -0.31 6.66 -1.08 -0.22 -5.08 116.67 123.86 2k87 s ASP 57 Ca 0.62 0.23 0.18 0.00 -0.52 0.00 0.00 52.55 53.06 2k87 s ASP 57 Cb -0.07 0.12 0.46 0.00 -1.46 0.00 0.00 42.92 41.97 2k87 s ASP 57 CO 0.04 -0.16 1.22 0.00 0.52 0.00 0.00 175.17 176.79 2k87 n LEU 58 N 4.40 0.34 -0.07 -1.34 -0.00 -1.26 -3.78 117.00 115.28 2k87 n LEU 58 Ca -0.23 -3.26 -0.12 0.00 -0.00 0.00 0.00 56.01 52.40 2k87 n LEU 58 Cb 0.51 0.31 -0.09 0.00 -0.00 0.00 0.00 43.42 44.16 2k87 n LEU 58 CO 0.17 1.42 0.01 0.78 -0.00 0.00 0.00 177.39 179.76 2k87 h ASN 59 N 2.20 0.00 -3.68 1.45 2.35 -1.93 -3.49 115.58 112.48 2k87 h ASN 59 Ca -0.23 -0.56 -0.46 0.00 -0.55 0.00 0.00 56.30 54.49 2k87 h ASN 59 Cb 1.26 0.00 0.19 0.00 0.05 0.00 0.00 38.32 39.82 2k87 h ASN 59 CO 0.12 0.98 0.12 -0.83 -1.65 0.00 0.00 177.43 176.17 2k87 s GLY 60 N -4.23 1.59 0.03 2.83 0.00 -1.26 -4.89 107.32 101.38 2k87 s GLY 60 Ca -0.17 -0.00 0.14 0.00 0.00 0.00 0.00 44.72 44.69 2k87 s GLY 60 CO 0.47 0.60 1.44 1.22 0.00 0.00 0.00 173.10 176.83 2k87 n ASP 61 N -4.51 0.07 -4.17 1.64 8.00 -0.77 -4.52 116.55 112.29 2k87 n ASP 61 Ca 0.06 0.52 -0.14 0.00 0.71 0.00 0.00 54.79 55.94 2k87 n ASP 61 Cb 0.54 -0.54 -0.11 0.00 -0.02 0.00 0.00 41.12 41.00 2k87 n ASP 61 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2k87 s VAL 62 N -3.04 0.90 0.19 2.53 1.01 -0.36 -4.58 120.40 117.05 2k87 s VAL 62 Ca 0.06 -1.61 0.05 0.00 0.00 0.00 0.00 61.98 60.48 2k87 s VAL 62 Cb 0.08 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 2k87 s VAL 62 CO 0.25 -0.55 -0.08 -0.69 0.00 0.00 0.00 175.10 174.02 2k87 s VAL 63 N -2.40 1.28 -0.05 2.92 1.01 -0.97 -2.48 120.40 119.71 2k87 s VAL 63 Ca 0.04 -2.09 0.02 0.00 0.00 0.00 0.00 61.98 59.96 2k87 s VAL 63 Cb -0.03 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.31 2k87 s VAL 63 CO -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 175.10 174.42 2k87 s ALA 64 N -3.26 1.02 0.06 5.51 0.00 0.10 -2.27 121.76 122.92 2k87 s ALA 64 Ca 0.22 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 51.91 2k87 s ALA 64 Cb 0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2k87 s ALA 64 CO 0.05 0.11 -0.10 0.42 0.00 0.00 0.00 175.76 176.24 2k87 s ILE 65 N 0.51 3.40 0.47 0.00 -1.09 0.02 -2.35 121.20 122.17 2k87 s ILE 65 Ca -0.09 -1.08 -0.23 0.00 -2.23 0.00 0.00 60.65 57.01 2k87 s ILE 65 Cb -0.13 -2.54 -0.07 0.00 -1.58 0.00 0.00 42.46 38.15 2k87 s ILE 65 CO 0.02 0.24 1.22 -0.62 -1.23 0.00 0.00 174.94 174.57 2k87 s ASP 66 N -1.84 6.01 0.60 3.58 -1.08 -1.26 -1.15 116.67 121.52 2k87 s ASP 66 Ca 0.19 2.44 0.29 0.00 -0.52 0.00 0.00 52.55 54.95 2k87 s ASP 66 Cb -0.11 -2.61 1.44 0.00 -1.46 0.00 0.00 42.92 40.18 2k87 s ASP 66 CO 0.11 -1.04 1.85 0.22 0.52 0.00 0.00 175.17 176.83 2k87 h TYR 67 N 2.02 0.00 -0.98 -5.34 3.20 -1.30 -1.83 116.97 112.74 2k87 h TYR 67 Ca -0.50 0.00 0.26 0.00 3.14 0.00 0.00 58.73 61.64 2k87 h TYR 67 Cb 1.26 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.47 2k87 h TYR 67 CO 0.52 0.00 0.68 0.07 -1.64 0.00 0.00 178.16 177.78 2k87 h ARG 68 N 0.00 0.17 -0.01 1.82 0.11 -1.91 -0.43 114.38 114.14 2k87 h ARG 68 Ca 0.22 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.29 2k87 h ARG 68 Cb 1.27 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2k87 h ARG 68 CO -0.00 0.12 -0.11 0.72 0.10 0.00 0.00 179.97 180.79 2k87 n HIS 69 N -4.39 0.00 -1.61 4.08 8.25 -0.69 -4.84 115.22 116.03 2k87 n HIS 69 Ca 0.21 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.38 2k87 n HIS 69 Cb 0.94 -0.13 -0.08 0.00 1.12 0.00 0.00 29.99 31.83 2k87 n HIS 69 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2k87 n TYR 70 N -0.75 1.84 -2.77 4.41 9.36 -0.17 -4.92 117.16 124.16 2k87 n TYR 70 Ca 0.15 -1.12 -0.32 0.00 3.32 0.00 0.00 57.90 59.93 2k87 n TYR 70 Cb 0.29 -2.24 -0.06 0.00 -0.63 0.00 0.00 39.34 36.70 2k87 n TYR 70 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2k87 s SER 71 N 6.74 6.79 0.28 2.98 0.15 -1.26 -4.96 113.70 124.44 2k87 s SER 71 Ca 0.70 1.54 0.20 0.00 0.70 0.00 0.00 55.95 59.09 2k87 s SER 71 Cb 0.03 -2.49 1.05 0.00 -1.71 0.00 0.00 66.02 62.90 2k87 s SER 71 CO 0.17 -0.40 1.60 0.00 1.20 0.00 0.00 173.24 175.82 2k87 n ALA 72 N -0.89 1.09 0.22 5.45 0.00 -1.26 -1.39 120.51 123.72 2k87 n ALA 72 Ca 0.06 0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.72 2k87 n ALA 72 Cb 0.54 -1.29 0.50 0.00 0.00 0.00 0.00 19.45 19.19 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 0.02 -0.56 0.00 0.02 -1.97 -3.18 113.55 107.88 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 0.03 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2k87 h SER 73 CO 0.00 0.19 0.00 0.49 -1.14 0.00 0.00 176.83 176.37 2k87 n PHE 74 N -4.32 1.86 0.23 3.45 3.72 -0.49 -4.65 117.46 117.25 2k87 n PHE 74 Ca -0.02 -0.66 0.10 0.00 -0.05 0.00 0.00 57.45 56.82 2k87 n PHE 74 Cb 0.24 -0.44 0.67 0.00 -0.94 0.00 0.00 39.48 39.02 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 3.82 0.00 -0.57 -1.08 1.63 -1.71 -0.49 116.57 118.17 2k87 h LYS 75 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2k87 h LYS 75 Cb 1.79 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.42 2k87 h LYS 75 CO 0.41 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 178.04 2k87 n LYS 76 N -4.44 3.29 0.00 1.90 5.02 -1.26 -4.97 118.16 117.69 2k87 n LYS 76 Ca -0.01 -2.68 0.00 0.00 -2.02 0.00 0.00 58.31 53.60 2k87 n LYS 76 Cb 0.15 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 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 0.95 2.04 3.60 0.72 0.00 -0.19 -4.30 105.19 108.01 2k87 n GLY 77 Ca 0.22 -2.16 -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 -1.81 -0.08 0.31 4.61 0.00 -1.26 -2.54 121.76 121.00 2k87 s ALA 78 Ca 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 2k87 s ALA 78 Cb 0.00 1.04 -0.00 0.00 0.00 0.00 0.00 23.12 24.16 2k87 s ALA 78 CO 0.00 -0.86 0.45 -1.59 0.00 0.00 0.00 175.76 173.76 2k87 s LYS 79 N -3.58 1.79 0.41 0.00 -2.85 0.46 -3.63 119.74 112.34 2k87 s LYS 79 Ca 0.23 -1.66 0.01 0.00 -1.00 0.00 0.00 55.97 53.55 2k87 s LYS 79 Cb -0.01 0.43 -0.00 0.00 -2.06 0.00 0.00 37.83 36.19 2k87 s LYS 79 CO 0.12 -0.73 0.04 -0.11 0.10 0.00 0.00 175.35 174.77 2k87 n LEU 80 N -0.51 0.00 -0.23 2.77 7.94 0.11 -1.43 117.00 125.66 2k87 n LEU 80 Ca 0.01 -2.72 -0.04 0.00 -1.11 0.00 0.00 56.01 52.15 2k87 n LEU 80 Cb 0.62 0.49 -0.02 0.00 0.53 0.00 0.00 43.42 45.04 2k87 n LEU 80 CO 0.29 -0.40 0.29 -0.11 -1.11 0.00 0.00 177.39 176.35 2k87 n LEU 81 N 0.00 -0.50 0.00 -1.96 0.00 -1.25 -2.86 117.00 110.43 2k87 n LEU 81 Ca -0.14 0.98 0.00 0.00 0.00 0.00 0.00 56.01 56.86 2k87 n LEU 81 Cb 0.54 -0.17 0.00 0.00 0.00 0.00 0.00 43.42 43.80 2k87 n LEU 81 CO 0.29 -0.84 0.26 0.00 0.00 0.00 0.00 177.39 177.10 2k87 n HIS 82 N -4.75 0.00 -4.21 1.96 1.44 -1.26 -5.13 115.22 103.27 2k87 n HIS 82 Ca 0.03 -0.04 -0.14 0.00 -2.01 0.00 0.00 57.72 55.57 2k87 n HIS 82 Cb 0.18 -0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.18 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 -0.07 0.95 0.68 -1.40 1.02 -1.14 -5.16 119.74 114.63 2k87 s LYS 83 Ca 0.00 -1.32 -0.11 0.00 0.02 0.00 0.00 55.97 54.56 2k87 s LYS 83 Cb 0.00 -0.53 0.00 0.00 -0.52 0.00 0.00 37.83 36.78 2k87 s LYS 83 CO 0.00 0.06 1.06 -1.25 -0.92 0.00 0.00 175.35 174.31 2k87 s PRO 84 N -3.40 3.04 0.10 -1.68 0.04 -1.26 0.09 135.00 131.93 2k87 s PRO 84 Ca 0.12 0.72 0.07 0.00 0.04 0.00 0.00 61.00 61.94 2k87 s PRO 84 Cb 0.01 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2k87 s PRO 84 CO -0.00 -0.96 -0.17 0.96 0.04 0.00 0.00 177.00 176.86 2k87 s ILE 85 N -3.18 1.43 0.36 0.56 -5.25 -1.24 -2.29 121.20 111.59 2k87 s ILE 85 Ca 0.57 -1.51 0.09 0.00 -0.99 0.00 0.00 60.65 58.81 2k87 s ILE 85 Cb -0.12 -1.39 -0.06 0.00 2.95 0.00 0.00 42.46 43.84 2k87 s ILE 85 CO 0.54 -0.20 -0.04 0.68 -1.79 0.00 0.00 174.94 174.12 2k87 s VAL 86 N -1.43 2.28 0.05 8.37 -7.23 -0.96 -4.73 120.40 116.74 2k87 s VAL 86 Ca 0.04 -2.10 -0.06 0.00 -1.81 0.00 0.00 61.98 58.05 2k87 s VAL 86 Cb -0.09 -2.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 2k87 s VAL 86 CO 0.03 -0.16 0.31 0.26 -0.31 0.00 0.00 175.10 175.24 2k87 s TRP 87 N -2.61 3.56 0.28 2.82 0.52 -1.26 -0.80 118.94 121.45 2k87 s TRP 87 Ca 0.34 0.59 0.05 0.00 0.02 0.00 0.00 56.10 57.09 2k87 s TRP 87 Cb 0.03 -2.01 -0.06 0.00 -1.15 0.00 0.00 33.47 30.29 2k87 s TRP 87 CO 0.18 0.56 -0.01 -3.38 0.02 0.00 0.00 176.95 174.32 2k87 s HIS 88 N -1.39 1.83 -0.01 -1.98 -3.43 -0.30 -4.80 115.29 105.21 2k87 s HIS 88 Ca 0.31 -0.84 0.01 0.00 -0.80 0.00 0.00 55.06 53.74 2k87 s HIS 88 Cb -0.13 -1.09 0.01 0.00 -1.43 0.00 0.00 32.58 29.94 2k87 s HIS 88 CO 0.19 0.10 0.69 1.51 -2.00 0.00 0.00 174.74 175.23 2k87 n ILE 89 N -0.56 0.23 0.00 -5.38 3.06 -0.35 -0.73 119.36 115.63 2k87 n ILE 89 Ca -0.04 -0.25 0.00 0.00 -2.50 0.00 0.00 62.75 59.96 2k87 n ILE 89 Cb 0.64 0.78 0.00 0.00 0.54 0.00 0.00 39.64 41.61 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 -0.14 0.00 -1.44 9.51 2.04 -1.26 -4.87 115.26 119.11 2k87 n ASN 90 Ca 0.01 0.00 -0.14 0.00 -0.44 0.00 0.00 54.58 54.01 2k87 n ASN 90 Cb 0.50 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.70 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 -1.33 -4.20 -3.83 6.02 -1.26 -4.92 117.38 107.86 2k87 n GLN 91 Ca 0.00 0.81 -0.16 0.00 -0.01 0.00 0.00 57.00 57.65 2k87 n GLN 91 Cb 0.00 -5.08 -0.07 0.00 1.02 0.00 0.00 30.24 26.10 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 -2.19 1.30 0.36 -1.58 0.00 -1.26 -4.60 121.76 113.78 2k87 s ALA 92 Ca 0.00 -1.77 0.08 0.00 0.00 0.00 0.00 51.96 50.27 2k87 s ALA 92 Cb 0.00 1.36 -0.04 0.00 0.00 0.00 0.00 23.12 24.44 2k87 s ALA 92 CO 0.00 -0.69 0.18 -0.08 0.00 0.00 0.00 175.76 175.17 2k87 s THR 93 N -3.57 2.92 0.29 0.00 -1.32 -1.26 -1.21 115.64 111.48 2k87 s THR 93 Ca 0.37 -1.64 -0.12 0.00 -1.21 0.00 0.00 61.69 59.09 2k87 s THR 93 Cb 0.03 -3.00 0.01 0.00 -1.51 0.00 0.00 72.50 68.03 2k87 s THR 93 CO 0.21 -0.14 0.53 0.42 -2.21 0.00 0.00 174.62 173.43 2k87 s THR 94 N -2.45 0.00 0.61 5.08 -4.23 -1.26 -4.99 115.64 108.40 2k87 s THR 94 Ca 0.39 -1.37 0.38 0.00 -1.18 0.00 0.00 61.69 59.91 2k87 s THR 94 Cb -0.02 -2.36 0.40 0.00 1.34 0.00 0.00 72.50 71.87 2k87 s THR 94 CO 0.23 0.00 2.31 0.11 -0.54 0.00 0.00 174.62 176.73 2k87 h LYS 95 N 2.18 0.00 -0.63 3.99 1.57 -2.01 0.37 116.57 122.03 2k87 h LYS 95 Ca -0.27 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.42 2k87 h LYS 95 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 2k87 h LYS 95 CO 0.36 0.01 0.03 1.15 -0.57 0.00 0.00 179.45 180.42 2k87 h THR 96 N 0.00 1.27 -0.06 -0.16 2.02 -2.03 -3.35 112.91 110.60 2k87 h THR 96 Ca -0.00 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.05 2k87 h THR 96 Cb 0.03 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2k87 h THR 96 CO 0.00 0.41 0.00 0.35 0.37 0.00 0.00 175.52 176.65 2k87 n THR 97 N -4.19 0.23 0.35 3.16 -2.24 -0.68 -4.66 114.28 106.24 2k87 n THR 97 Ca 0.03 -0.61 -0.14 0.00 -2.27 0.00 0.00 64.05 61.06 2k87 n THR 97 Cb 0.33 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.51 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 1.48 -0.85 -0.42 4.78 3.57 -1.09 -1.75 116.94 122.66 2k87 h PHE 98 Ca 0.00 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.55 2k87 h PHE 98 Cb 0.40 0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.33 2k87 h PHE 98 CO 0.04 -0.53 -0.46 0.87 -2.23 0.00 0.00 178.31 175.99 2k87 h LYS 99 N -1.18 -0.33 -0.16 1.11 1.57 -1.83 -0.14 116.57 115.61 2k87 h LYS 99 Ca -0.09 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2k87 h LYS 99 Cb 0.70 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2k87 h LYS 99 CO 0.15 -0.22 0.01 -1.00 -0.57 0.00 0.00 179.45 177.83 2k87 h PRO 100 N -0.34 0.23 0.00 3.15 0.13 -1.86 -1.94 132.00 131.38 2k87 h PRO 100 Ca 0.13 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 65.14 2k87 h PRO 100 Cb 0.59 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2k87 h PRO 100 CO -0.59 0.24 -0.42 -0.91 -0.23 0.00 0.00 178.00 176.09 2k87 h ASN 101 N 0.23 0.00 -0.81 1.44 2.35 -0.13 -3.14 115.58 115.52 2k87 h ASN 101 Ca 0.06 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.95 2k87 h ASN 101 Cb 0.14 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.42 2k87 h ASN 101 CO 0.00 0.42 0.39 0.71 -1.65 0.00 0.00 177.43 177.30 2k87 h THR 102 N 0.00 0.70 0.00 2.81 1.35 -0.37 0.34 112.91 117.74 2k87 h THR 102 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2k87 h THR 102 Cb 0.86 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 2k87 h THR 102 CO 0.05 0.10 0.00 0.79 -0.25 0.00 0.00 175.52 176.22 2k87 n TRP 103 N -4.92 0.67 0.05 4.73 7.02 -1.19 -1.63 117.44 122.18 2k87 n TRP 103 Ca 0.16 0.34 -0.22 0.00 -1.02 0.00 0.00 57.50 56.77 2k87 n TRP 103 Cb 0.43 -1.05 -0.15 0.00 -2.42 0.00 0.00 31.31 28.12 2k87 n TRP 103 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2k87 h LEU 105 N -0.23 0.58 -2.57 0.00 -0.00 -1.34 -0.70 115.31 111.05 2k87 h LEU 105 Ca -0.24 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 2k87 h LEU 105 Cb 1.80 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 42.35 2k87 h LEU 105 CO 0.13 0.41 0.00 0.03 -0.00 0.00 0.00 178.44 179.01 2k87 h ARG 106 N 0.71 0.00 0.06 1.13 3.08 -1.42 -0.32 114.38 117.62 2k87 h ARG 106 Ca 0.25 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.01 2k87 h ARG 106 Cb 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2k87 h ARG 106 CO -0.11 0.00 -1.52 0.00 -1.07 0.00 0.00 179.97 177.27 2k87 h LEU 108 N 0.03 0.00 -9.57 0.00 3.38 -0.34 -3.44 115.31 105.38 2k87 h LEU 108 Ca -0.22 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.19 2k87 h LEU 108 Cb 1.97 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.78 2k87 h LEU 108 CO 0.12 0.18 0.90 0.79 0.09 0.00 0.00 178.44 180.52 2k87 n TRP 109 N -3.26 2.49 -2.71 1.13 8.01 -0.38 -4.96 117.44 117.76 2k87 n TRP 109 Ca 0.01 0.16 -0.30 0.00 -1.31 0.00 0.00 57.50 56.06 2k87 n TRP 109 Cb 0.45 -2.60 -0.02 0.00 -2.01 0.00 0.00 31.31 27.13 2k87 n TRP 109 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 2k87 s SER 110 N 1.09 6.44 0.85 -0.99 0.01 -1.01 -4.59 113.70 115.49 2k87 s SER 110 Ca 0.77 1.12 -0.11 0.00 1.31 0.00 0.00 55.95 59.04 2k87 s SER 110 Cb -0.60 -2.32 0.14 0.00 0.21 0.00 0.00 66.02 63.45 2k87 s SER 110 CO 0.36 -0.49 1.19 0.42 0.41 0.00 0.00 173.24 175.13 2k87 s THR 111 N -2.53 2.07 0.47 1.44 -4.23 -1.26 -0.51 115.64 111.09 2k87 s THR 111 Ca 0.51 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 2k87 s THR 111 Cb -0.10 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.81 2k87 s THR 111 CO 0.36 0.00 0.00 1.17 -0.54 0.00 0.00 174.62 175.61 2k87 n LYS 112 N -3.38 -4.23 -0.35 3.99 4.81 -1.21 -4.86 118.16 112.94 2k87 n LYS 112 Ca 0.12 3.15 -0.29 0.00 -0.87 0.00 0.00 58.31 60.42 2k87 n LYS 112 Cb 0.60 -3.62 0.27 0.00 0.02 0.00 0.00 35.03 32.31 2k87 n LYS 112 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2k87 n PRO 113 N -0.79 -3.80 -3.37 1.64 -0.04 -1.26 -4.83 135.00 122.55 2k87 n PRO 113 Ca 0.00 -1.11 -0.26 0.00 -0.04 0.00 0.00 63.50 62.09 2k87 n PRO 113 Cb 0.00 -1.98 -0.09 0.00 -0.04 0.00 0.00 33.50 31.38 2k87 n PRO 113 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2k87 n VAL 114 N -5.44 -0.89 -1.12 0.52 0.24 -1.26 -4.97 118.33 105.41 2k87 n VAL 114 Ca 0.08 -3.67 0.03 0.00 -2.04 0.00 0.00 64.34 58.74 2k87 n VAL 114 Cb 0.57 -1.76 0.25 0.00 -1.47 0.00 0.00 33.84 31.43 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 2.43 3.68 0.00 -1.34 2.03 -1.26 -5.19 116.55 116.90 2k87 n ASP 115 Ca 0.27 -3.25 0.00 0.00 0.52 0.00 0.00 54.79 52.34 2k87 n ASP 115 Cb 0.48 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 2k87 n ASP 115 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69