#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 0.44 0.00 2.03 5.04 -1.26 -5.07 117.35 118.52 2k87 s TYR 2 Ca 0.00 -0.78 0.00 0.00 -2.44 0.00 0.00 57.07 53.85 2k87 s TYR 2 Cb 0.00 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.28 2k87 s TYR 2 CO 0.00 -0.78 0.20 2.41 -1.34 0.00 0.00 175.55 176.04 2k87 n THR 3 N -0.26 0.00 -3.87 4.34 -1.04 -1.26 -5.05 114.28 107.14 2k87 n THR 3 Ca -0.05 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.64 2k87 n THR 3 Cb 0.63 1.47 0.01 0.00 -1.82 0.00 0.00 70.33 70.61 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 0.00 -1.02 -2.24 -2.82 2.13 -1.26 -4.96 120.64 110.47 2k87 n GLU 4 Ca 0.00 0.45 -0.37 0.00 0.66 0.00 0.00 57.16 57.91 2k87 n GLU 4 Cb 0.36 -2.16 -0.01 0.00 0.27 0.00 0.00 31.44 29.90 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 -5.77 3.67 0.97 5.31 1.11 -1.26 -5.03 119.66 118.65 2k87 s GLN 5 Ca 0.17 1.76 -0.12 0.00 0.01 0.00 0.00 55.36 57.18 2k87 s GLN 5 Cb -0.10 -2.33 0.17 0.00 -1.01 0.00 0.00 33.01 29.74 2k87 s GLN 5 CO 0.88 -0.62 1.09 -1.25 0.01 0.00 0.00 175.29 175.40 2k87 s PRO 6 N -2.81 0.68 -1.28 2.91 0.04 -1.26 -4.87 135.00 128.40 2k87 s PRO 6 Ca 0.65 0.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.19 2k87 s PRO 6 Cb -0.28 -1.76 0.11 0.00 0.04 0.00 0.00 34.50 32.61 2k87 s PRO 6 CO 0.34 -2.60 1.70 -0.89 0.04 0.00 0.00 177.00 175.59 2k87 n ILE 7 N -4.10 4.03 -1.68 0.56 5.41 -1.26 -4.05 119.36 118.26 2k87 n ILE 7 Ca 0.06 -4.23 -0.02 0.00 1.00 0.00 0.00 62.75 59.56 2k87 n ILE 7 Cb 0.56 -2.41 -0.01 0.00 -0.71 0.00 0.00 39.64 37.07 2k87 n ILE 7 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2k87 n ASP 8 N 6.95 -0.95 -4.64 4.38 2.03 -1.26 -4.68 116.55 118.38 2k87 n ASP 8 Ca 0.45 0.22 -0.41 0.00 0.52 0.00 0.00 54.79 55.57 2k87 n ASP 8 Cb 0.44 -1.13 -0.05 0.00 -0.72 0.00 0.00 41.12 39.66 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 -3.51 4.10 -0.04 -2.67 2.96 -1.26 -3.92 118.68 114.34 2k87 s LEU 9 Ca 0.00 0.92 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 2k87 s LEU 9 Cb 0.00 -3.04 0.02 0.00 0.50 0.00 0.00 46.19 43.67 2k87 s LEU 9 CO 0.00 -0.41 -0.05 0.68 -1.32 0.00 0.00 176.35 175.25 2k87 s VAL 10 N 2.48 0.57 0.73 1.68 -7.23 -0.35 -4.89 120.40 113.39 2k87 s VAL 10 Ca 0.32 -0.15 -0.14 0.00 -1.81 0.00 0.00 61.98 60.19 2k87 s VAL 10 Cb -0.16 -0.58 0.04 0.00 0.56 0.00 0.00 36.38 36.25 2k87 s VAL 10 CO 0.09 0.23 1.16 -2.16 -0.31 0.00 0.00 175.10 174.11 2k87 s PRO 11 N 0.82 2.23 0.38 4.82 0.05 -1.26 -0.62 135.00 141.40 2k87 s PRO 11 Ca -0.11 1.59 -0.07 0.00 0.05 0.00 0.00 61.00 62.46 2k87 s PRO 11 Cb -0.14 -1.86 0.03 0.00 0.05 0.00 0.00 34.50 32.58 2k87 s PRO 11 CO 0.00 -1.73 0.61 -2.37 0.05 0.00 0.00 177.00 173.57 2k87 n THR 12 N -2.84 0.00 -4.01 1.26 5.66 -1.04 -4.74 114.28 108.58 2k87 n THR 12 Ca 0.12 -1.52 -0.08 0.00 -3.05 0.00 0.00 64.05 59.52 2k87 n THR 12 Cb 0.51 1.08 -0.09 0.00 -1.55 0.00 0.00 70.33 70.28 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 -2.54 0.76 0.71 1.09 1.11 -1.26 -3.47 119.66 116.06 2k87 s GLN 13 Ca 0.25 -1.15 -0.12 0.00 0.01 0.00 0.00 55.36 54.34 2k87 s GLN 13 Cb -0.03 0.27 0.02 0.00 -1.01 0.00 0.00 33.01 32.27 2k87 s GLN 13 CO 0.18 -0.20 1.09 -1.25 0.01 0.00 0.00 175.29 175.11 2k87 s PRO 14 N -3.92 2.61 0.51 2.91 0.04 -1.26 -5.00 135.00 130.89 2k87 s PRO 14 Ca 0.09 1.20 -0.20 0.00 0.04 0.00 0.00 61.00 62.12 2k87 s PRO 14 Cb 0.07 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 2k87 s PRO 14 CO -0.08 -1.37 1.09 -0.51 0.04 0.00 0.00 177.00 176.16 2k87 s LEU 15 N -5.45 3.83 0.47 -3.56 1.43 -1.26 -5.04 118.68 109.10 2k87 s LEU 15 Ca 0.62 2.06 -0.22 0.00 -1.03 0.00 0.00 54.13 55.57 2k87 s LEU 15 Cb -0.17 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.44 2k87 s LEU 15 CO 0.50 -0.97 1.11 -2.16 0.23 0.00 0.00 176.35 175.07 2k87 s PRO 16 N -3.19 3.75 0.00 1.29 0.04 -1.26 -3.56 135.00 132.07 2k87 s PRO 16 Ca 0.69 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2k87 s PRO 16 Cb -0.21 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2k87 s PRO 16 CO 0.24 -0.53 0.00 0.27 0.04 0.00 0.00 177.00 177.03 2k87 n ASN 17 N -0.68 -1.76 -4.63 6.66 2.04 -1.26 -4.89 115.26 110.74 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 0.50 -1.41 0.03 0.00 -2.53 0.00 0.00 39.78 36.37 2k87 n ASN 17 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k87 n ALA 18 N 0.38 0.44 -3.35 -2.53 0.00 -1.23 -3.55 120.51 110.67 2k87 n ALA 18 Ca 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.43 2k87 n ALA 18 Cb 0.15 -2.14 -0.08 0.00 0.00 0.00 0.00 19.45 17.38 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 -0.89 -0.38 0.20 0.00 1.04 0.34 -4.87 113.70 109.13 2k87 s SER 19 Ca 0.68 0.34 -0.32 0.00 0.48 0.00 0.00 55.95 57.13 2k87 s SER 19 Cb -0.49 0.41 -0.12 0.00 0.10 0.00 0.00 66.02 65.92 2k87 s SER 19 CO 0.53 -0.51 1.71 0.33 0.98 0.00 0.00 173.24 176.29 2k87 n PHE 20 N 1.15 2.68 -0.64 5.02 7.35 -1.26 -0.65 117.46 131.11 2k87 n PHE 20 Ca -0.20 0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.54 2k87 n PHE 20 Cb 0.56 -2.66 0.00 0.00 0.35 0.00 0.00 39.48 37.73 2k87 n PHE 20 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2k87 n ASP 21 N 3.99 -0.03 -2.46 -2.13 2.03 -1.26 -4.82 116.55 111.87 2k87 n ASP 21 Ca 0.16 -0.64 -0.35 0.00 0.52 0.00 0.00 54.79 54.48 2k87 n ASP 21 Cb 0.34 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.81 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 -1.97 7.61 -4.71 1.67 4.13 -1.26 -4.97 115.26 115.76 2k87 n ASN 22 Ca 0.00 -3.76 -0.42 0.00 1.68 0.00 0.00 54.58 52.07 2k87 n ASN 22 Cb 0.00 -1.01 -0.03 0.00 -1.54 0.00 0.00 39.78 37.20 2k87 n ASN 22 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2k87 s PHE 23 N -3.78 3.49 0.28 3.10 -0.12 -1.26 -0.02 117.98 119.67 2k87 s PHE 23 Ca 0.60 1.47 -0.18 0.00 -0.05 0.00 0.00 56.93 58.78 2k87 s PHE 23 Cb 0.48 -3.28 -0.09 0.00 -0.63 0.00 0.00 43.02 39.50 2k87 s PHE 23 CO -0.11 -0.70 0.74 0.21 -0.05 0.00 0.00 175.22 175.30 2k87 s LYS 24 N 1.30 4.14 0.08 1.99 2.20 -0.07 -4.87 119.74 124.52 2k87 s LYS 24 Ca 0.55 0.79 0.03 0.00 -0.36 0.00 0.00 55.97 56.97 2k87 s LYS 24 Cb -0.24 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 2k87 s LYS 24 CO 0.27 0.27 0.09 -0.48 -0.36 0.00 0.00 175.35 175.13 2k87 s LEU 25 N -2.49 3.82 0.24 5.43 0.05 -1.26 -1.85 118.68 122.62 2k87 s LEU 25 Ca 0.49 -0.00 0.08 0.00 0.05 0.00 0.00 54.13 54.75 2k87 s LEU 25 Cb -0.13 -2.50 -0.05 0.00 -2.05 0.00 0.00 46.19 41.46 2k87 s LEU 25 CO 0.19 0.17 -0.13 0.42 -0.55 0.00 0.00 176.35 176.44 2k87 s THR 26 N -1.41 1.85 0.20 5.48 -4.23 0.95 -4.85 115.64 113.63 2k87 s THR 26 Ca 0.30 -2.23 -0.21 0.00 -1.18 0.00 0.00 61.69 58.37 2k87 s THR 26 Cb -0.12 -2.18 0.05 0.00 1.34 0.00 0.00 72.50 71.58 2k87 s THR 26 CO 0.22 -0.49 0.62 0.00 -0.54 0.00 0.00 174.62 174.43 2k87 h SER 28 N 2.04 -1.32 -3.05 0.00 4.64 -2.00 -3.40 113.55 110.46 2k87 h SER 28 Ca -0.28 0.13 -0.57 0.00 -0.47 0.00 0.00 61.79 60.60 2k87 h SER 28 Cb 1.28 0.48 -0.04 0.00 -0.31 0.00 0.00 62.40 63.81 2k87 h SER 28 CO 0.33 -0.50 1.04 0.21 -0.87 0.00 0.00 176.83 177.05 2k87 s ASN 29 N -4.26 6.51 0.21 4.97 3.84 -1.26 -4.88 114.94 120.06 2k87 s ASN 29 Ca -0.14 1.26 -0.13 0.00 0.21 0.00 0.00 52.86 54.06 2k87 s ASN 29 Cb 0.05 -2.54 0.25 0.00 -0.55 0.00 0.00 41.25 38.46 2k87 s ASN 29 CO 0.51 -1.21 1.65 0.71 -2.79 0.00 0.00 177.10 175.97 2k87 h THR 30 N 6.12 0.44 0.10 -5.21 1.35 -1.94 -1.04 112.91 112.73 2k87 h THR 30 Ca -0.29 -0.02 0.02 0.00 -0.55 0.00 0.00 66.41 65.58 2k87 h THR 30 Cb 1.12 0.39 -0.03 0.00 -1.73 0.00 0.00 68.15 67.89 2k87 h THR 30 CO 1.03 0.01 -0.26 0.50 -0.25 0.00 0.00 175.52 176.56 2k87 h LYS 31 N 0.05 -0.44 0.03 4.72 1.63 -1.93 -0.41 116.57 120.22 2k87 h LYS 31 Ca 0.30 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 2k87 h LYS 31 Cb 0.48 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 2k87 h LYS 31 CO -0.57 -0.29 -0.05 0.35 -3.45 0.00 0.00 179.45 175.44 2k87 h PHE 32 N -0.45 -0.12 -0.08 1.91 3.57 -1.51 0.19 116.94 120.47 2k87 h PHE 32 Ca 0.03 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 2k87 h PHE 32 Cb 0.49 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2k87 h PHE 32 CO -0.24 -0.07 -0.31 0.00 -2.23 0.00 0.00 178.31 175.46 2k87 h ALA 33 N 0.87 1.35 -0.05 2.41 0.00 -1.20 -0.58 119.26 122.07 2k87 h ALA 33 Ca 0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2k87 h ALA 33 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k87 h ALA 33 CO -0.03 0.46 -0.20 -0.44 0.00 0.00 0.00 179.25 179.04 2k87 h ASP 34 N 0.12 0.27 -0.50 0.00 3.32 -0.51 -1.53 116.42 117.59 2k87 h ASP 34 Ca 0.02 -0.64 0.08 0.00 0.02 0.00 0.00 57.03 56.51 2k87 h ASP 34 Cb 0.61 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 2k87 h ASP 34 CO 0.04 0.86 0.14 0.44 -1.72 0.00 0.00 179.24 179.00 2k87 h ASP 35 N -0.31 0.08 -0.06 6.45 3.32 -0.52 0.18 116.42 125.56 2k87 h ASP 35 Ca -0.01 0.08 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 2k87 h ASP 35 Cb 0.84 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 2k87 h ASP 35 CO 0.04 0.07 -0.51 0.25 -1.72 0.00 0.00 179.24 177.37 2k87 h LEU 36 N 0.29 0.69 -1.41 1.55 5.85 -1.10 -1.79 115.31 119.39 2k87 h LEU 36 Ca 0.25 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2k87 h LEU 36 Cb 0.31 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2k87 h LEU 36 CO -0.29 1.08 -0.10 0.78 -0.34 0.00 0.00 178.44 179.56 2k87 h ASN 37 N 0.49 0.00 1.19 1.25 2.35 -0.81 -2.96 115.58 117.10 2k87 h ASN 37 Ca 0.02 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.61 2k87 h ASN 37 Cb 1.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 2k87 h ASN 37 CO 0.10 0.10 -0.76 1.56 -1.65 0.00 0.00 177.43 176.78 2k87 h GLN 38 N 0.00 0.00 -0.31 0.81 1.08 0.15 -2.40 115.11 114.43 2k87 h GLN 38 Ca -0.00 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.02 2k87 h GLN 38 Cb 0.58 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2k87 h GLN 38 CO 0.01 0.76 -0.49 0.52 -0.95 0.00 0.00 178.83 178.69 2k87 h MET 39 N 0.00 0.88 0.00 1.46 2.86 -1.22 -3.26 114.93 115.64 2k87 h MET 39 Ca -0.01 -0.53 -0.07 0.00 -2.06 0.00 0.00 59.70 57.04 2k87 h MET 39 Cb 1.56 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 2k87 h MET 39 CO 0.10 1.17 -0.32 1.79 1.06 0.00 0.00 176.91 180.71 2k87 h THR 40 N 0.67 0.85 -0.17 2.22 1.35 -1.44 -3.47 112.91 112.93 2k87 h THR 40 Ca 0.03 -1.29 -0.07 0.00 -0.55 0.00 0.00 66.41 64.53 2k87 h THR 40 Cb 1.09 1.78 -0.03 0.00 -1.73 0.00 0.00 68.15 69.27 2k87 h THR 40 CO 0.11 0.31 -0.06 0.61 -0.25 0.00 0.00 175.52 176.24 2k87 n GLY 41 N -0.02 0.65 3.54 5.82 0.00 -0.97 -4.97 105.19 109.24 2k87 n GLY 41 Ca -0.01 -0.83 -0.55 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.89 1.04 -3.72 1.61 7.35 -0.94 -4.98 117.46 114.94 2k87 n PHE 42 Ca -0.03 0.85 -0.22 0.00 -0.76 0.00 0.00 57.45 57.28 2k87 n PHE 42 Cb 0.12 -2.21 -0.18 0.00 0.35 0.00 0.00 39.48 37.57 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 0.19 0.15 0.92 -2.13 2.01 -1.26 -4.99 115.64 110.53 2k87 s THR 43 Ca 0.87 0.20 -0.10 0.00 0.31 0.00 0.00 61.69 62.96 2k87 s THR 43 Cb -1.10 -0.40 0.13 0.00 0.01 0.00 0.00 72.50 71.15 2k87 s THR 43 CO 0.52 0.17 1.06 0.29 -0.69 0.00 0.00 174.62 175.97 2k87 n LYS 44 N 5.21 -0.43 -2.32 4.92 5.02 -1.26 -4.24 118.16 125.07 2k87 n LYS 44 Ca -0.05 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.76 2k87 n LYS 44 Cb 0.50 -2.32 -0.03 0.00 -0.02 0.00 0.00 35.03 33.16 2k87 n LYS 44 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k87 s PRO 45 N -4.51 4.41 0.10 1.97 0.04 -1.26 -5.11 135.00 130.64 2k87 s PRO 45 Ca 0.66 1.91 -0.30 0.00 0.04 0.00 0.00 61.00 63.31 2k87 s PRO 45 Cb -0.23 -3.28 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 2k87 s PRO 45 CO 0.59 -0.27 1.14 0.00 0.04 0.00 0.00 177.00 178.50 2k87 s ALA 46 N 0.72 3.36 0.42 8.56 0.00 -1.26 -4.91 121.76 128.66 2k87 s ALA 46 Ca 0.59 0.81 0.17 0.00 0.00 0.00 0.00 51.96 53.53 2k87 s ALA 46 Cb -0.33 -3.40 1.03 0.00 0.00 0.00 0.00 23.12 20.42 2k87 s ALA 46 CO 0.32 -0.33 1.97 0.77 0.00 0.00 0.00 175.76 178.49 2k87 h SER 47 N 6.11 0.00 -5.26 0.00 0.02 -0.80 -3.46 113.55 110.15 2k87 h SER 47 Ca -0.43 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.45 2k87 h SER 47 Cb 1.21 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.65 2k87 h SER 47 CO 0.77 0.21 -0.17 0.00 -1.14 0.00 0.00 176.83 176.50 2k87 s ARG 48 N -4.44 1.45 -0.31 3.45 1.70 -1.20 -5.04 118.95 114.56 2k87 s ARG 48 Ca -0.03 -1.24 -0.01 0.00 -0.47 0.00 0.00 55.73 53.98 2k87 s ARG 48 Cb 0.15 0.45 0.13 0.00 -0.57 0.00 0.00 34.95 35.11 2k87 s ARG 48 CO 0.68 -0.59 0.26 -1.21 -1.08 0.00 0.00 175.30 173.36 2k87 s GLU 49 N -4.01 0.38 0.87 3.89 2.02 -1.25 -0.89 118.70 119.71 2k87 s GLU 49 Ca 0.22 -0.52 -0.12 0.00 0.02 0.00 0.00 54.97 54.57 2k87 s GLU 49 Cb 0.00 -0.87 0.11 0.00 0.10 0.00 0.00 34.13 33.48 2k87 s GLU 49 CO 0.07 -1.08 1.13 -0.51 0.02 0.00 0.00 175.26 174.89 2k87 s LEU 50 N 1.96 2.23 0.00 1.80 2.01 -0.77 -4.86 118.68 121.05 2k87 s LEU 50 Ca 0.12 1.04 0.02 0.00 0.01 0.00 0.00 54.13 55.32 2k87 s LEU 50 Cb -0.16 -3.46 -0.01 0.00 0.01 0.00 0.00 46.19 42.57 2k87 s LEU 50 CO -0.24 -2.31 -0.08 -0.44 1.01 0.00 0.00 176.35 174.29 2k87 s SER 51 N -4.06 0.93 0.23 2.29 0.01 -1.25 -0.03 113.70 111.82 2k87 s SER 51 Ca 0.63 -0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.65 2k87 s SER 51 Cb -0.14 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 2k87 s SER 51 CO 0.53 0.05 0.46 -0.69 0.41 0.00 0.00 173.24 174.00 2k87 s VAL 52 N -0.36 5.12 -0.05 3.43 1.01 -0.30 -1.91 120.40 127.34 2k87 s VAL 52 Ca 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 2k87 s VAL 52 Cb -0.04 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.65 2k87 s VAL 52 CO -0.00 -0.20 -0.01 0.42 0.00 0.00 0.00 175.10 175.31 2k87 s THR 53 N -1.92 0.36 -0.35 3.92 -4.23 -0.88 -4.39 115.64 108.15 2k87 s THR 53 Ca 0.41 0.05 -0.21 0.00 -1.18 0.00 0.00 61.69 60.77 2k87 s THR 53 Cb -0.11 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.26 2k87 s THR 53 CO 0.28 0.22 0.67 -0.36 -0.54 0.00 0.00 174.62 174.90 2k87 s PHE 54 N 1.46 3.15 0.71 3.99 0.08 -1.26 -0.19 117.98 125.93 2k87 s PHE 54 Ca -0.03 0.43 -0.16 0.00 0.12 0.00 0.00 56.93 57.29 2k87 s PHE 54 Cb -0.13 -3.17 -0.01 0.00 -0.57 0.00 0.00 43.02 39.14 2k87 s PHE 54 CO -0.03 -0.63 0.84 0.34 -0.10 0.00 0.00 175.22 175.65 2k87 n PHE 55 N 6.10 0.26 -2.11 0.36 7.35 -1.13 -2.73 117.46 125.56 2k87 n PHE 55 Ca -0.00 0.39 -0.40 0.00 -0.76 0.00 0.00 57.45 56.68 2k87 n PHE 55 Cb 0.48 -2.04 -0.03 0.00 0.35 0.00 0.00 39.48 38.25 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 -3.14 2.85 -0.26 -7.13 0.04 -1.26 -5.04 135.00 121.07 2k87 s PRO 56 Ca 0.71 0.65 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 2k87 s PRO 56 Cb -0.35 -4.31 0.08 0.00 0.04 0.00 0.00 34.50 29.96 2k87 s PRO 56 CO 0.52 -2.47 0.62 0.34 0.04 0.00 0.00 177.00 176.05 2k87 s ASP 57 N 7.05 -0.85 -0.28 6.66 -1.08 -1.11 -5.09 116.67 121.98 2k87 s ASP 57 Ca 0.65 1.37 0.19 0.00 -0.52 0.00 0.00 52.55 54.24 2k87 s ASP 57 Cb -0.13 1.35 0.46 0.00 -1.46 0.00 0.00 42.92 43.13 2k87 s ASP 57 CO 0.23 -0.23 1.28 0.00 0.52 0.00 0.00 175.17 176.96 2k87 n LEU 58 N 4.46 0.35 0.05 -1.34 -0.00 -1.26 -4.09 117.00 115.17 2k87 n LEU 58 Ca -0.20 -3.04 0.13 0.00 -0.00 0.00 0.00 56.01 52.91 2k87 n LEU 58 Cb 0.57 0.31 0.44 0.00 -0.00 0.00 0.00 43.42 44.74 2k87 n LEU 58 CO 0.00 1.28 0.81 0.59 -0.00 0.00 0.00 177.39 180.08 2k87 n ASN 59 N -0.91 0.49 -4.89 1.45 3.02 -1.26 -4.94 115.26 108.21 2k87 n ASN 59 Ca -0.03 0.43 -0.29 0.00 -0.03 0.00 0.00 54.58 54.66 2k87 n ASN 59 Cb 0.84 -0.50 0.03 0.00 -0.61 0.00 0.00 39.78 39.54 2k87 n ASN 59 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2k87 s GLY 60 N -3.34 1.61 0.49 7.41 0.00 -1.26 -4.96 107.32 107.27 2k87 s GLY 60 Ca 0.11 -0.42 0.28 0.00 0.00 0.00 0.00 44.72 44.70 2k87 s GLY 60 CO 0.60 -0.13 1.90 -1.80 0.00 0.00 0.00 173.10 173.66 2k87 h ASP 61 N -0.29 0.00 -3.98 1.64 1.82 -1.86 -3.43 116.42 110.32 2k87 h ASP 61 Ca -0.45 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 55.66 2k87 h ASP 61 Cb 1.23 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 41.04 2k87 h ASP 61 CO 0.62 0.12 -0.81 -0.69 -1.61 0.00 0.00 179.24 176.87 2k87 s VAL 62 N -3.66 1.70 0.36 2.25 1.01 -0.80 -4.46 120.40 116.79 2k87 s VAL 62 Ca 0.01 -1.67 0.06 0.00 0.00 0.00 0.00 61.98 60.38 2k87 s VAL 62 Cb 0.10 -1.63 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 2k87 s VAL 62 CO 0.59 -0.17 0.02 -0.69 0.00 0.00 0.00 175.10 174.86 2k87 s VAL 63 N -1.51 1.60 0.06 2.92 1.01 -0.36 -2.07 120.40 122.06 2k87 s VAL 63 Ca 0.09 -2.02 0.03 0.00 0.00 0.00 0.00 61.98 60.08 2k87 s VAL 63 Cb -0.08 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2k87 s VAL 63 CO 0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 175.10 175.03 2k87 s ALA 64 N -3.00 0.78 0.05 5.51 0.00 0.73 -2.20 121.76 123.63 2k87 s ALA 64 Ca 0.35 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.39 2k87 s ALA 64 Cb 0.09 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 2k87 s ALA 64 CO 0.16 -0.05 -0.12 0.42 0.00 0.00 0.00 175.76 176.17 2k87 s ILE 65 N -1.99 0.94 0.45 0.00 -1.09 0.18 -2.83 121.20 116.87 2k87 s ILE 65 Ca -0.03 -1.14 -0.22 0.00 -2.23 0.00 0.00 60.65 57.04 2k87 s ILE 65 Cb -0.06 -0.91 -0.09 0.00 -1.58 0.00 0.00 42.46 39.82 2k87 s ILE 65 CO -0.01 -0.20 1.03 -0.62 -1.23 0.00 0.00 174.94 173.92 2k87 s ASP 66 N -1.50 6.55 0.65 3.58 -1.08 -1.26 -1.55 116.67 122.05 2k87 s ASP 66 Ca -0.03 1.95 0.25 0.00 -0.52 0.00 0.00 52.55 54.20 2k87 s ASP 66 Cb -0.09 -2.57 1.32 0.00 -1.46 0.00 0.00 42.92 40.13 2k87 s ASP 66 CO 0.01 -0.64 1.75 0.22 0.52 0.00 0.00 175.17 177.04 2k87 h TYR 67 N 1.94 0.00 0.00 -5.34 5.03 -1.93 -1.03 116.97 115.65 2k87 h TYR 67 Ca -0.49 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.82 2k87 h TYR 67 Cb 1.22 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.50 2k87 h TYR 67 CO 0.58 0.00 0.00 0.54 -1.32 0.00 0.00 178.16 177.96 2k87 n ARG 68 N -3.02 0.01 -0.04 1.82 1.74 -1.26 -0.57 116.66 115.35 2k87 n ARG 68 Ca 0.01 0.35 0.01 0.00 -0.77 0.00 0.00 57.85 57.46 2k87 n ARG 68 Cb 0.58 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.55 2k87 n ARG 68 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2k87 n HIS 69 N -1.37 0.10 -1.25 -1.55 8.25 -0.39 -4.89 115.22 114.11 2k87 n HIS 69 Ca 0.01 -0.40 -0.38 0.00 -0.26 0.00 0.00 57.72 56.68 2k87 n HIS 69 Cb 0.01 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.16 2.31 -1.99 4.41 9.36 0.26 -4.93 117.16 126.42 2k87 n TYR 70 Ca 0.03 -2.32 -0.35 0.00 3.32 0.00 0.00 57.90 58.58 2k87 n TYR 70 Cb 0.25 -2.03 0.03 0.00 -0.63 0.00 0.00 39.34 36.96 2k87 n TYR 70 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2k87 s SER 71 N 3.85 5.31 0.00 2.98 0.01 -1.26 -4.93 113.70 119.65 2k87 s SER 71 Ca 0.52 2.18 0.11 0.00 1.31 0.00 0.00 55.95 60.06 2k87 s SER 71 Cb 0.14 -2.58 0.47 0.00 0.21 0.00 0.00 66.02 64.26 2k87 s SER 71 CO 0.01 -1.50 1.32 0.00 0.41 0.00 0.00 173.24 173.48 2k87 n ALA 72 N -1.81 1.52 -0.28 1.44 0.00 -1.26 -1.37 120.51 118.75 2k87 n ALA 72 Ca 0.12 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.58 2k87 n ALA 72 Cb 0.51 -1.17 0.20 0.00 0.00 0.00 0.00 19.45 18.99 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 0.50 -0.50 0.00 0.02 -1.97 -3.19 113.55 108.40 2k87 h SER 73 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2k87 h SER 73 Cb 0.17 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2k87 h SER 73 CO 0.00 0.22 0.00 0.49 -1.14 0.00 0.00 176.83 176.40 2k87 n PHE 74 N -4.88 1.70 -0.25 3.45 3.72 -0.47 -4.61 117.46 116.11 2k87 n PHE 74 Ca 0.16 -0.60 0.11 0.00 -0.05 0.00 0.00 57.45 57.07 2k87 n PHE 74 Cb 0.40 -0.41 0.38 0.00 -0.94 0.00 0.00 39.48 38.91 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 3.44 0.67 -0.13 -1.08 3.64 -1.71 0.40 116.57 121.81 2k87 h LYS 75 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2k87 h LYS 75 Cb 1.68 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 2k87 h LYS 75 CO 0.38 0.44 0.00 1.63 -2.27 0.00 0.00 179.45 179.64 2k87 n LYS 76 N -4.54 2.15 0.00 1.90 5.02 -1.26 -4.90 118.16 116.52 2k87 n LYS 76 Ca 0.16 -1.69 0.00 0.00 -2.02 0.00 0.00 58.31 54.76 2k87 n LYS 76 Cb 0.44 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 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 1.32 0.89 3.77 0.72 0.00 0.13 -4.52 105.19 107.50 2k87 n GLY 77 Ca 0.17 -2.30 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.00 -0.60 0.07 4.61 0.00 -1.25 -2.51 121.76 121.07 2k87 s ALA 78 Ca 0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 51.07 2k87 s ALA 78 Cb 0.00 0.75 -0.00 0.00 0.00 0.00 0.00 23.12 23.87 2k87 s ALA 78 CO 0.00 -0.97 0.18 -1.59 0.00 0.00 0.00 175.76 173.38 2k87 s LYS 79 N -2.53 0.78 0.00 0.00 -2.85 0.21 -3.87 119.74 111.47 2k87 s LYS 79 Ca 0.17 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.29 2k87 s LYS 79 Cb -0.05 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 2k87 s LYS 79 CO 0.12 -0.24 0.00 -0.11 0.10 0.00 0.00 175.35 175.23 2k87 n LEU 80 N 0.22 0.00 -0.33 2.77 0.00 0.60 -1.21 117.00 119.05 2k87 n LEU 80 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.82 2k87 n LEU 80 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 43.42 44.04 2k87 n LEU 80 CO 0.22 -0.40 0.47 -0.11 0.00 0.00 0.00 177.39 177.57 2k87 n LEU 81 N 0.00 -0.62 0.00 -1.96 0.00 -1.25 -3.44 117.00 109.72 2k87 n LEU 81 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 56.01 57.47 2k87 n LEU 81 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 43.42 43.12 2k87 n LEU 81 CO 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 177.39 176.11 2k87 n HIS 82 N -5.19 0.00 -4.19 1.96 1.44 -1.26 -5.13 115.22 102.85 2k87 n HIS 82 Ca 0.07 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.51 2k87 n HIS 82 Cb 0.31 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.34 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 -0.08 2.44 0.66 -1.40 1.02 -1.22 -5.12 119.74 116.04 2k87 s LYS 83 Ca 0.00 -1.05 -0.11 0.00 0.02 0.00 0.00 55.97 54.83 2k87 s LYS 83 Cb 0.00 -2.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 2k87 s LYS 83 CO 0.00 0.47 1.05 -1.25 -0.92 0.00 0.00 175.35 174.70 2k87 s PRO 84 N -2.83 3.24 0.20 -1.68 0.04 -1.26 -0.29 135.00 132.42 2k87 s PRO 84 Ca 0.27 0.82 0.07 0.00 0.04 0.00 0.00 61.00 62.21 2k87 s PRO 84 Cb -0.10 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 2k87 s PRO 84 CO 0.19 -0.85 -0.14 0.96 0.04 0.00 0.00 177.00 177.20 2k87 s ILE 85 N -3.13 1.66 0.14 0.56 -5.25 -1.25 -1.23 121.20 112.70 2k87 s ILE 85 Ca 0.57 -2.19 0.05 0.00 -0.99 0.00 0.00 60.65 58.08 2k87 s ILE 85 Cb -0.12 -2.03 -0.04 0.00 2.95 0.00 0.00 42.46 43.21 2k87 s ILE 85 CO 0.54 -0.60 -0.11 0.68 -1.79 0.00 0.00 174.94 173.66 2k87 s VAL 86 N -3.02 1.16 -0.35 8.37 -7.23 -0.94 -4.83 120.40 113.57 2k87 s VAL 86 Ca 0.22 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.17 2k87 s VAL 86 Cb -0.00 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.20 2k87 s VAL 86 CO 0.06 -0.68 0.87 0.26 -0.31 0.00 0.00 175.10 175.30 2k87 s TRP 87 N -3.07 3.12 -0.19 2.82 0.52 -1.26 -0.64 118.94 120.24 2k87 s TRP 87 Ca 0.14 0.77 -0.05 0.00 0.02 0.00 0.00 56.10 56.98 2k87 s TRP 87 Cb 0.01 -3.49 -0.03 0.00 -1.15 0.00 0.00 33.47 28.81 2k87 s TRP 87 CO 0.01 -0.73 0.01 -3.38 0.02 0.00 0.00 176.95 172.87 2k87 s HIS 88 N 3.28 3.09 -0.29 -1.98 -3.43 -0.60 -4.87 115.29 110.48 2k87 s HIS 88 Ca 0.36 -0.28 -0.10 0.00 -0.80 0.00 0.00 55.06 54.25 2k87 s HIS 88 Cb -0.13 -2.06 -0.02 0.00 -1.43 0.00 0.00 32.58 28.94 2k87 s HIS 88 CO 0.16 -0.09 0.15 0.42 -2.00 0.00 0.00 174.74 173.38 2k87 s ILE 89 N 0.71 4.76 -1.25 -5.38 1.01 -0.65 -3.68 121.20 116.72 2k87 s ILE 89 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.37 2k87 s ILE 89 Cb -0.14 -3.35 0.06 0.00 0.01 0.00 0.00 42.46 39.04 2k87 s ILE 89 CO 0.02 0.16 0.43 -0.46 0.00 0.00 0.00 174.94 175.09 2k87 n ASN 90 N 5.00 -3.78 -0.18 3.58 2.04 -1.26 -0.11 115.26 120.55 2k87 n ASN 90 Ca -0.14 -0.30 -0.02 0.00 -0.44 0.00 0.00 54.58 53.67 2k87 n ASN 90 Cb 0.50 -3.14 -0.01 0.00 -2.53 0.00 0.00 39.78 34.60 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 -3.61 -0.54 -4.48 -3.83 6.02 -1.26 -5.01 117.38 104.67 2k87 n GLN 91 Ca -0.03 0.37 -0.23 0.00 -0.01 0.00 0.00 57.00 57.09 2k87 n GLN 91 Cb 0.55 -3.94 -0.11 0.00 1.02 0.00 0.00 30.24 27.77 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 -1.90 2.54 0.13 -1.58 0.00 0.85 -4.51 121.76 117.28 2k87 s ALA 92 Ca 0.00 -2.04 0.11 0.00 0.00 0.00 0.00 51.96 50.03 2k87 s ALA 92 Cb 0.00 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 2k87 s ALA 92 CO 0.00 -0.15 -0.26 -0.08 0.00 0.00 0.00 175.76 175.28 2k87 s THR 93 N -3.02 2.32 0.25 0.00 -1.32 -1.26 -1.63 115.64 110.98 2k87 s THR 93 Ca 0.33 -1.74 0.02 0.00 -1.21 0.00 0.00 61.69 59.08 2k87 s THR 93 Cb 0.06 -2.04 -0.04 0.00 -1.51 0.00 0.00 72.50 68.98 2k87 s THR 93 CO 0.14 0.08 0.17 0.42 -2.21 0.00 0.00 174.62 173.23 2k87 s THR 94 N -1.09 0.10 0.28 5.08 -4.23 -1.26 -4.98 115.64 109.53 2k87 s THR 94 Ca 0.15 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 2k87 s THR 94 Cb -0.10 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 71.50 2k87 s THR 94 CO 0.07 0.00 1.74 0.50 -0.54 0.00 0.00 174.62 176.39 2k87 h LYS 95 N 2.41 0.56 -0.66 3.99 3.11 -2.01 0.27 116.57 124.25 2k87 h LYS 95 Ca -0.33 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.41 2k87 h LYS 95 Cb 1.25 -0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 32.32 2k87 h LYS 95 CO 0.49 0.37 0.14 1.15 -2.81 0.00 0.00 179.45 178.79 2k87 h THR 96 N 0.58 1.26 0.00 1.00 2.02 -2.02 -3.08 112.91 112.67 2k87 h THR 96 Ca 0.52 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2k87 h THR 96 Cb 0.84 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2k87 h THR 96 CO -0.42 0.36 -0.89 0.35 0.37 0.00 0.00 175.52 175.29 2k87 n THR 97 N -4.23 0.10 0.35 3.16 -2.24 -0.48 -4.26 114.28 106.67 2k87 n THR 97 Ca 0.05 -0.14 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 2k87 n THR 97 Cb 0.26 0.36 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.84 -0.61 4.78 3.57 -0.44 -1.69 116.94 121.71 2k87 h PHE 98 Ca 0.00 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.57 2k87 h PHE 98 Cb 0.63 0.28 -0.11 0.00 2.79 0.00 0.00 35.95 39.54 2k87 h PHE 98 CO 0.00 -0.50 -0.45 0.87 -2.23 0.00 0.00 178.31 176.00 2k87 h LYS 99 N -1.18 -0.21 -0.12 1.11 1.79 -1.72 -0.01 116.57 116.23 2k87 h LYS 99 Ca -0.09 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.28 2k87 h LYS 99 Cb 0.72 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 2k87 h LYS 99 CO 0.15 -0.14 -0.43 -1.00 -1.08 0.00 0.00 179.45 176.95 2k87 h PRO 100 N -0.22 0.27 -0.16 3.15 0.13 -1.75 -3.03 132.00 130.40 2k87 h PRO 100 Ca 0.18 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 2k87 h PRO 100 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 2k87 h PRO 100 CO -0.71 0.66 0.05 -0.91 -0.23 0.00 0.00 178.00 176.86 2k87 h ASN 101 N 0.23 0.19 -0.87 1.44 2.35 -0.06 -1.67 115.58 117.18 2k87 h ASN 101 Ca 0.02 -0.01 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 2k87 h ASN 101 Cb 0.86 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 39.12 2k87 h ASN 101 CO 0.07 0.19 0.56 0.71 -1.65 0.00 0.00 177.43 177.31 2k87 h THR 102 N 0.22 0.90 -0.53 2.81 1.35 -1.08 -0.28 112.91 116.30 2k87 h THR 102 Ca 0.06 -0.26 -0.10 0.00 -0.55 0.00 0.00 66.41 65.55 2k87 h THR 102 Cb 0.08 0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 66.55 2k87 h THR 102 CO -0.00 0.14 -0.07 -0.50 -0.25 0.00 0.00 175.52 174.84 2k87 h TRP 103 N 0.76 1.06 -0.92 4.73 4.06 -1.45 -2.06 115.95 122.12 2k87 h TRP 103 Ca 0.42 -0.20 0.03 0.00 2.06 0.00 0.00 58.89 61.21 2k87 h TRP 103 Cb 0.56 -0.27 -0.05 0.00 -1.00 0.00 0.00 29.16 28.40 2k87 h TRP 103 CO -0.00 0.97 0.61 0.00 -3.56 0.00 0.00 178.44 176.46 2k87 h LEU 105 N 1.17 0.76 -1.21 0.00 3.38 -0.81 -0.73 115.31 117.87 2k87 h LEU 105 Ca 0.36 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2k87 h LEU 105 Cb -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2k87 h LEU 105 CO -0.11 0.68 0.00 0.54 0.09 0.00 0.00 178.44 179.64 2k87 n ARG 106 N -4.54 0.16 0.02 1.13 1.74 -0.72 -0.95 116.66 113.50 2k87 n ARG 106 Ca 0.03 0.57 -0.11 0.00 -0.77 0.00 0.00 57.85 57.58 2k87 n ARG 106 Cb 0.12 -1.94 -0.14 0.00 -1.02 0.00 0.00 32.46 29.49 2k87 n ARG 106 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k87 h LEU 108 N 0.02 0.00-10.11 0.00 3.38 -0.36 -3.47 115.31 104.77 2k87 h LEU 108 Ca -0.21 -0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.26 2k87 h LEU 108 Cb 1.95 0.00 0.21 0.00 0.09 0.00 0.00 40.66 42.91 2k87 h LEU 108 CO 0.11 0.00 -0.06 0.79 0.09 0.00 0.00 178.44 179.37 2k87 n TRP 109 N -2.69 -0.17 -4.77 1.13 7.02 -0.55 -4.77 117.44 112.64 2k87 n TRP 109 Ca 0.05 0.23 -0.29 0.00 -1.02 0.00 0.00 57.50 56.47 2k87 n TRP 109 Cb 0.48 -1.87 -0.14 0.00 -2.42 0.00 0.00 31.31 27.36 2k87 n TRP 109 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2k87 s SER 110 N -2.42 3.10 -0.89 -0.99 0.01 0.17 -4.72 113.70 107.96 2k87 s SER 110 Ca 0.65 -0.62 -0.25 0.00 1.31 0.00 0.00 55.95 57.05 2k87 s SER 110 Cb -0.23 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.71 2k87 s SER 110 CO 0.62 0.23 1.88 0.42 0.41 0.00 0.00 173.24 176.80 2k87 s THR 111 N -0.86 3.49 -0.33 1.44 -4.23 -1.26 -0.51 115.64 113.39 2k87 s THR 111 Ca 0.12 -0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.25 2k87 s THR 111 Cb -0.10 -4.12 0.11 0.00 1.34 0.00 0.00 72.50 69.73 2k87 s THR 111 CO 0.03 -1.06 0.13 -0.75 -0.54 0.00 0.00 174.62 172.43 2k87 s LYS 112 N 6.78 0.69 1.23 3.99 2.47 -1.23 -4.94 119.74 128.73 2k87 s LYS 112 Ca 0.67 -1.13 -0.21 0.00 -1.56 0.00 0.00 55.97 53.74 2k87 s LYS 112 Cb -0.06 -1.84 0.31 0.00 -1.46 0.00 0.00 37.83 34.77 2k87 s LYS 112 CO -0.00 -1.03 0.99 -0.35 0.16 0.00 0.00 175.35 175.12 2k87 n PRO 113 N 4.67 -3.46 -0.25 4.03 -0.04 -1.26 -4.73 135.00 133.96 2k87 n PRO 113 Ca -0.00 -1.60 0.08 0.00 -0.04 0.00 0.00 63.50 61.93 2k87 n PRO 113 Cb 0.41 -1.62 0.18 0.00 -0.04 0.00 0.00 33.50 32.43 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 -4.98 1.83 -0.62 0.52 0.24 -1.26 -4.62 118.33 109.43 2k87 n VAL 114 Ca 0.14 -1.75 0.00 0.00 -2.04 0.00 0.00 64.34 60.69 2k87 n VAL 114 Cb 0.56 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 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 -0.59 0.70 0.00 -1.34 2.03 -1.26 -5.37 116.55 110.71 2k87 n ASP 115 Ca 0.16 -1.32 0.00 0.00 0.52 0.00 0.00 54.79 54.15 2k87 n ASP 115 Cb 0.68 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.08 2k87 n ASP 115 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69