#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 3.67 0.00 2.03 5.04 -1.26 -4.92 117.35 121.91 2k87 s TYR 2 Ca 0.00 1.73 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 2k87 s TYR 2 Cb 0.00 -3.22 0.00 0.00 0.35 0.00 0.00 41.96 39.09 2k87 s TYR 2 CO 0.00 -0.34 0.56 2.41 -1.34 0.00 0.00 175.55 176.83 2k87 n THR 3 N 1.43 0.00 -4.97 4.34 -1.04 -1.26 -5.16 114.28 107.62 2k87 n THR 3 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2k87 n THR 3 Cb 0.45 0.16 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 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 0.00 -1.16 -2.82 2.13 -1.26 -4.71 120.64 112.82 2k87 n GLU 4 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2k87 n GLU 4 Cb 0.55 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.38 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 0.00 1.57 0.85 5.31 -0.21 -1.26 -5.07 119.66 120.86 2k87 s GLN 5 Ca 0.00 1.04 -0.11 0.00 0.02 0.00 0.00 55.36 56.31 2k87 s GLN 5 Cb 0.00 -1.83 0.10 0.00 1.00 0.00 0.00 33.01 32.29 2k87 s GLN 5 CO 0.00 -2.08 1.10 -1.25 -2.12 0.00 0.00 175.29 170.94 2k87 s PRO 6 N -4.88 1.59 -0.81 2.91 0.04 -1.26 -4.94 135.00 127.66 2k87 s PRO 6 Ca 0.63 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.55 2k87 s PRO 6 Cb -0.18 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2k87 s PRO 6 CO 0.57 -2.10 1.53 0.42 0.04 0.00 0.00 177.00 177.45 2k87 s ILE 7 N -2.84 3.66 -0.89 0.56 1.01 -1.26 -4.25 121.20 117.19 2k87 s ILE 7 Ca 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.25 2k87 s ILE 7 Cb -0.19 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.64 2k87 s ILE 7 CO 0.57 -1.57 0.00 0.47 0.00 0.00 0.00 174.94 174.41 2k87 n ASP 8 N 10.52 -3.00 -4.71 3.58 8.00 -1.26 -4.83 116.55 124.85 2k87 n ASP 8 Ca 0.19 0.21 -0.41 0.00 0.71 0.00 0.00 54.79 55.49 2k87 n ASP 8 Cb 0.50 -2.64 -0.04 0.00 -0.02 0.00 0.00 41.12 38.92 2k87 n ASP 8 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2k87 s LEU 9 N -2.61 4.34 -0.04 0.64 0.20 -1.26 -4.10 118.68 115.85 2k87 s LEU 9 Ca 0.00 1.45 -0.00 0.00 0.69 0.00 0.00 54.13 56.27 2k87 s LEU 9 Cb 0.00 -3.36 0.03 0.00 -0.43 0.00 0.00 46.19 42.43 2k87 s LEU 9 CO 0.00 -0.20 0.02 0.68 -0.29 0.00 0.00 176.35 176.56 2k87 s VAL 10 N 0.95 0.11 0.96 1.68 -7.23 -0.79 -5.01 120.40 111.06 2k87 s VAL 10 Ca 0.46 0.18 -0.11 0.00 -1.81 0.00 0.00 61.98 60.70 2k87 s VAL 10 Cb -0.19 -0.25 0.17 0.00 0.56 0.00 0.00 36.38 36.66 2k87 s VAL 10 CO 0.23 0.16 1.10 -2.84 -0.31 0.00 0.00 175.10 173.44 2k87 s PRO 11 N 1.39 0.70 0.00 4.82 0.02 -1.26 -0.69 135.00 139.97 2k87 s PRO 11 Ca -0.05 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.19 2k87 s PRO 11 Cb -0.13 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.68 2k87 s PRO 11 CO -0.03 -2.74 0.00 -2.37 -0.33 0.00 0.00 177.00 171.53 2k87 n THR 12 N -4.28 0.00 -4.02 0.99 5.66 -0.69 -4.66 114.28 107.28 2k87 n THR 12 Ca 0.09 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.99 2k87 n THR 12 Cb 0.53 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.23 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 1.59 1.09 0.60 1.09 -2.07 -1.26 -3.95 119.66 116.75 2k87 s GLN 13 Ca 0.00 -1.27 -0.17 0.00 -1.82 0.00 0.00 55.36 52.11 2k87 s GLN 13 Cb 0.00 0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 32.22 2k87 s GLN 13 CO 0.00 -0.37 1.11 -1.25 -1.32 0.00 0.00 175.29 173.45 2k87 s PRO 14 N -4.00 3.11 0.63 9.60 0.04 -1.26 -4.86 135.00 138.26 2k87 s PRO 14 Ca 0.20 1.44 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 2k87 s PRO 14 Cb 0.05 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2k87 s PRO 14 CO 0.01 -1.02 0.88 1.28 0.04 0.00 0.00 177.00 178.19 2k87 n LEU 15 N -1.91 3.17 -4.76 -3.56 4.77 -1.26 -4.93 117.00 108.51 2k87 n LEU 15 Ca 0.11 0.75 -0.41 0.00 -0.03 0.00 0.00 56.01 56.43 2k87 n LEU 15 Cb 0.52 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.23 2k87 n LEU 15 CO 0.45 -2.14 0.96 -2.16 -1.33 0.00 0.00 177.39 173.18 2k87 s PRO 16 N -2.81 4.39 0.00 3.23 0.04 -1.26 -3.67 135.00 134.92 2k87 s PRO 16 Ca 0.74 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.93 2k87 s PRO 16 Cb -0.40 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2k87 s PRO 16 CO 0.49 -0.16 0.00 0.09 0.04 0.00 0.00 177.00 177.46 2k87 n ASN 17 N 1.19 0.00 -0.53 6.66 3.02 -1.26 -4.91 115.26 119.43 2k87 n ASN 17 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.57 2k87 n ASN 17 Cb 0.42 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.59 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 0.00 -1.72 -3.21 5.41 0.00 -1.24 -5.07 120.51 114.68 2k87 n ALA 18 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.51 2k87 n ALA 18 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 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 -3.83 -1.07 -0.32 0.00 1.04 0.11 -4.94 113.70 104.69 2k87 s SER 19 Ca 0.00 0.78 -0.28 0.00 0.48 0.00 0.00 55.95 56.93 2k87 s SER 19 Cb 0.00 1.94 -0.03 0.00 0.10 0.00 0.00 66.02 68.02 2k87 s SER 19 CO 0.00 -0.20 2.01 0.12 0.98 0.00 0.00 173.24 176.15 2k87 s PHE 20 N 2.86 1.50 0.87 5.02 5.36 -1.26 -1.50 117.98 130.83 2k87 s PHE 20 Ca 0.11 0.68 -0.12 0.00 -0.96 0.00 0.00 56.93 56.64 2k87 s PHE 20 Cb -0.13 -4.01 0.11 0.00 -0.34 0.00 0.00 43.02 38.66 2k87 s PHE 20 CO -0.18 -3.29 1.17 0.16 -1.46 0.00 0.00 175.22 171.61 2k87 s ASP 21 N 7.52 3.96 -0.12 6.13 -4.77 -1.26 -4.96 116.67 123.16 2k87 s ASP 21 Ca 0.88 0.83 0.03 0.00 -3.30 0.00 0.00 52.55 50.99 2k87 s ASP 21 Cb -0.25 -1.34 0.25 0.00 -1.09 0.00 0.00 42.92 40.49 2k87 s ASP 21 CO 0.33 -2.26 1.15 0.59 0.70 0.00 0.00 175.17 175.68 2k87 n ASN 22 N -3.55 2.99 -4.69 2.11 4.13 -1.26 -4.90 115.26 110.09 2k87 n ASN 22 Ca 0.08 -2.45 -0.31 0.00 1.68 0.00 0.00 54.58 53.57 2k87 n ASN 22 Cb 0.60 -0.59 0.15 0.00 -1.54 0.00 0.00 39.78 38.40 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 -1.32 1.81 0.03 3.10 -0.71 -1.26 -0.55 117.98 119.07 2k87 s PHE 23 Ca 0.19 1.75 0.05 0.00 -1.04 0.00 0.00 56.93 57.88 2k87 s PHE 23 Cb 0.15 -3.29 -0.02 0.00 -1.21 0.00 0.00 43.02 38.66 2k87 s PHE 23 CO 0.04 -2.61 -0.15 0.21 -1.34 0.00 0.00 175.22 171.37 2k87 s LYS 24 N -4.70 1.05 0.30 1.99 2.20 -0.66 -4.87 119.74 115.05 2k87 s LYS 24 Ca 0.66 -0.75 -0.17 0.00 -0.36 0.00 0.00 55.97 55.35 2k87 s LYS 24 Cb -0.22 -1.08 -0.09 0.00 -1.51 0.00 0.00 37.83 34.94 2k87 s LYS 24 CO 0.58 0.27 0.75 -0.51 -0.36 0.00 0.00 175.35 176.08 2k87 s LEU 25 N -1.00 4.14 0.28 5.43 1.02 -1.26 -0.43 118.68 126.85 2k87 s LEU 25 Ca 0.03 1.36 0.02 0.00 0.02 0.00 0.00 54.13 55.56 2k87 s LEU 25 Cb -0.08 -3.97 -0.04 0.00 0.02 0.00 0.00 46.19 42.12 2k87 s LEU 25 CO 0.01 -0.15 0.14 0.42 0.02 0.00 0.00 176.35 176.79 2k87 s THR 26 N -1.86 0.37 0.05 5.49 -4.23 0.21 -4.82 115.64 110.85 2k87 s THR 26 Ca 0.51 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.74 2k87 s THR 26 Cb -0.12 -2.55 0.10 0.00 1.34 0.00 0.00 72.50 71.27 2k87 s THR 26 CO 0.18 0.00 1.16 0.00 -0.54 0.00 0.00 174.62 175.42 2k87 h SER 28 N 2.00 0.54 -2.33 0.00 4.64 -2.01 -3.36 113.55 113.02 2k87 h SER 28 Ca -0.28 0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 60.52 2k87 h SER 28 Cb 1.21 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 2k87 h SER 28 CO 0.28 0.37 1.15 0.21 -0.87 0.00 0.00 176.83 177.97 2k87 s ASN 29 N -5.61 5.90 0.07 4.97 3.84 -1.26 -4.89 114.94 117.95 2k87 s ASN 29 Ca -0.13 -0.10 -0.26 0.00 0.21 0.00 0.00 52.86 52.58 2k87 s ASN 29 Cb 0.14 -2.55 -0.17 0.00 -0.55 0.00 0.00 41.25 38.12 2k87 s ASN 29 CO 0.75 -1.97 1.62 0.71 -2.79 0.00 0.00 177.10 175.42 2k87 h THR 30 N 6.34 0.84 -0.55 -5.21 1.35 -1.97 -3.07 112.91 110.64 2k87 h THR 30 Ca -0.27 -0.16 0.09 0.00 -0.55 0.00 0.00 66.41 65.52 2k87 h THR 30 Cb 1.09 0.94 -0.11 0.00 -1.73 0.00 0.00 68.15 68.34 2k87 h THR 30 CO 1.24 0.04 -0.38 0.50 -0.25 0.00 0.00 175.52 176.67 2k87 h LYS 31 N -0.33 -0.20 0.28 4.72 1.63 -1.91 0.23 116.57 120.98 2k87 h LYS 31 Ca -0.03 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2k87 h LYS 31 Cb 0.26 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 2k87 h LYS 31 CO 0.04 -0.14 -0.37 0.35 -3.45 0.00 0.00 179.45 175.89 2k87 h PHE 32 N -0.21 -1.01 -0.26 1.91 3.57 -1.73 0.22 116.94 119.44 2k87 h PHE 32 Ca 0.20 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2k87 h PHE 32 Cb 0.56 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2k87 h PHE 32 CO -0.66 -0.50 -0.07 0.00 -2.23 0.00 0.00 178.31 174.85 2k87 h ALA 33 N -0.23 1.40 -0.17 2.41 0.00 -1.33 -2.03 119.26 119.32 2k87 h ALA 33 Ca -0.01 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2k87 h ALA 33 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k87 h ALA 33 CO -0.11 0.41 -0.46 0.22 0.00 0.00 0.00 179.25 179.31 2k87 h ASP 34 N 0.39 0.69 -0.66 0.00 3.58 -0.11 0.16 116.42 120.46 2k87 h ASP 34 Ca 0.08 -0.58 -0.02 0.00 0.42 0.00 0.00 57.03 56.93 2k87 h ASP 34 Cb 0.38 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 2k87 h ASP 34 CO 0.02 1.15 0.34 0.44 -2.88 0.00 0.00 179.24 178.31 2k87 h ASP 35 N 0.26 0.84 -0.44 2.28 3.32 -0.89 -1.49 116.42 120.31 2k87 h ASP 35 Ca -0.01 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 2k87 h ASP 35 Cb 1.08 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 2k87 h ASP 35 CO 0.10 0.72 0.15 -0.07 -1.72 0.00 0.00 179.24 178.42 2k87 h LEU 36 N 0.90 0.62 -1.56 1.55 4.07 -1.22 -2.15 115.31 117.52 2k87 h LEU 36 Ca 0.23 -0.19 0.05 0.00 0.08 0.00 0.00 57.88 58.04 2k87 h LEU 36 Cb 0.08 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 2k87 h LEU 36 CO -0.03 0.64 0.36 0.78 -1.08 0.00 0.00 178.44 179.11 2k87 h ASN 37 N 0.57 0.48 -0.61 -0.43 2.35 -0.75 -1.97 115.58 115.21 2k87 h ASN 37 Ca 0.14 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 2k87 h ASN 37 Cb 0.23 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 2k87 h ASN 37 CO -0.01 0.32 0.10 1.56 -1.65 0.00 0.00 177.43 177.75 2k87 h GLN 38 N 0.55 1.04 -0.34 0.81 1.08 -0.66 -1.22 115.11 116.38 2k87 h GLN 38 Ca 0.22 -0.27 -0.10 0.00 -1.45 0.00 0.00 58.65 57.05 2k87 h GLN 38 Cb 0.19 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2k87 h GLN 38 CO -0.06 0.96 -0.20 0.52 -0.95 0.00 0.00 178.83 179.10 2k87 h MET 39 N 0.97 0.73 0.00 1.46 2.86 -0.82 -2.75 114.93 117.39 2k87 h MET 39 Ca 0.19 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2k87 h MET 39 Cb 0.43 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 2k87 h MET 39 CO 0.01 0.94 -0.02 0.00 1.06 0.00 0.00 176.91 178.91 2k87 h THR 40 N 0.51 0.04 0.00 2.22 1.03 -1.44 -3.47 112.91 111.80 2k87 h THR 40 Ca 0.07 -0.72 0.00 0.00 -0.01 0.00 0.00 66.41 65.75 2k87 h THR 40 Cb 0.74 1.69 0.00 0.00 -1.07 0.00 0.00 68.15 69.52 2k87 h THR 40 CO 0.06 0.02 0.00 0.61 -0.01 0.00 0.00 175.52 176.19 2k87 n GLY 41 N 0.40 0.85 3.42 2.99 0.00 -0.54 -5.03 105.19 107.28 2k87 n GLY 41 Ca 0.02 -0.04 -0.48 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.29 -0.26 -3.98 1.61 7.35 -0.71 -5.00 117.46 114.18 2k87 n PHE 42 Ca 0.00 0.94 -0.09 0.00 -0.76 0.00 0.00 57.45 57.54 2k87 n PHE 42 Cb 0.00 -2.00 -0.11 0.00 0.35 0.00 0.00 39.48 37.72 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 -0.97 0.12 0.63 -2.13 2.01 -1.26 -4.93 115.64 109.11 2k87 s THR 43 Ca 0.64 -0.85 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 2k87 s THR 43 Cb -0.92 -0.26 0.02 0.00 0.01 0.00 0.00 72.50 71.35 2k87 s THR 43 CO 0.56 -0.46 0.96 -0.54 -0.69 0.00 0.00 174.62 174.46 2k87 s LYS 44 N -1.36 2.83 0.20 4.92 1.02 -1.26 -4.16 119.74 121.94 2k87 s LYS 44 Ca -0.15 0.08 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 2k87 s LYS 44 Cb -0.09 -2.20 -0.09 0.00 -0.52 0.00 0.00 37.83 34.93 2k87 s LYS 44 CO -0.01 -0.84 1.30 -1.25 -0.92 0.00 0.00 175.35 173.63 2k87 s PRO 45 N -5.11 4.40 0.19 -1.68 0.04 -1.26 -5.11 135.00 126.47 2k87 s PRO 45 Ca 0.55 2.05 -0.31 0.00 0.04 0.00 0.00 61.00 63.33 2k87 s PRO 45 Cb -0.11 -3.19 -0.09 0.00 0.04 0.00 0.00 34.50 31.15 2k87 s PRO 45 CO 0.47 -0.24 1.41 0.00 0.04 0.00 0.00 177.00 178.68 2k87 s ALA 46 N 0.06 3.62 -0.54 8.56 0.00 -1.26 -4.91 121.76 127.29 2k87 s ALA 46 Ca 0.56 1.23 0.26 0.00 0.00 0.00 0.00 51.96 54.00 2k87 s ALA 46 Cb -0.36 -3.54 0.79 0.00 0.00 0.00 0.00 23.12 20.00 2k87 s ALA 46 CO 0.38 -0.66 1.75 1.03 0.00 0.00 0.00 175.76 178.26 2k87 h SER 47 N 5.87 0.00 -5.02 0.00 0.87 -1.16 -3.45 113.55 110.65 2k87 h SER 47 Ca -0.44 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.17 2k87 h SER 47 Cb 1.21 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 2k87 h SER 47 CO 0.82 0.00 0.19 0.00 -0.53 0.00 0.00 176.83 177.31 2k87 s ARG 48 N -3.22 1.70 0.12 2.24 1.70 -1.26 -4.96 118.95 115.27 2k87 s ARG 48 Ca 0.08 -0.96 0.11 0.00 -0.47 0.00 0.00 55.73 54.48 2k87 s ARG 48 Cb 0.10 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 35.03 2k87 s ARG 48 CO 0.57 -0.77 -0.27 -1.21 -1.08 0.00 0.00 175.30 172.54 2k87 s GLU 49 N -3.91 1.45 0.44 3.89 8.01 -1.26 -1.65 118.70 125.67 2k87 s GLU 49 Ca 0.11 -1.31 0.06 0.00 0.01 0.00 0.00 54.97 53.84 2k87 s GLU 49 Cb -0.05 -1.90 -0.05 0.00 -4.31 0.00 0.00 34.13 27.82 2k87 s GLU 49 CO 0.05 0.46 0.13 -0.51 0.01 0.00 0.00 175.26 175.40 2k87 s LEU 50 N -1.93 2.91 0.15 1.80 1.43 0.42 -4.90 118.68 118.57 2k87 s LEU 50 Ca 0.13 -1.25 -0.01 0.00 -1.03 0.00 0.00 54.13 51.98 2k87 s LEU 50 Cb -0.10 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2k87 s LEU 50 CO 0.05 -0.61 0.07 -0.55 0.23 0.00 0.00 176.35 175.55 2k87 s SER 51 N -3.88 0.33 0.13 2.29 0.15 -1.26 -0.62 113.70 110.84 2k87 s SER 51 Ca 0.34 -1.26 0.04 0.00 0.70 0.00 0.00 55.95 55.77 2k87 s SER 51 Cb 0.05 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.62 2k87 s SER 51 CO 0.19 -0.75 -0.09 -0.69 1.20 0.00 0.00 173.24 173.09 2k87 s VAL 52 N -4.05 1.05 0.30 4.45 1.01 -0.51 -1.70 120.40 120.95 2k87 s VAL 52 Ca 0.28 -2.02 0.03 0.00 0.00 0.00 0.00 61.98 60.27 2k87 s VAL 52 Cb 0.07 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2k87 s VAL 52 CO 0.05 -0.77 0.16 0.42 0.00 0.00 0.00 175.10 174.95 2k87 s THR 53 N -3.36 0.32 -0.07 3.92 -4.23 -1.19 -4.50 115.64 106.53 2k87 s THR 53 Ca 0.15 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.69 2k87 s THR 53 Cb 0.03 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.36 2k87 s THR 53 CO -0.01 0.00 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.54 2k87 s PHE 54 N -3.64 1.87 0.67 3.99 0.08 -1.13 -3.13 117.98 116.70 2k87 s PHE 54 Ca 0.36 -0.70 -0.17 0.00 0.12 0.00 0.00 56.93 56.54 2k87 s PHE 54 Cb 0.05 -1.30 -0.04 0.00 -0.57 0.00 0.00 43.02 41.17 2k87 s PHE 54 CO 0.17 -0.31 0.75 0.34 -0.10 0.00 0.00 175.22 176.07 2k87 n PHE 55 N 3.62 -0.00 0.99 0.36 7.35 -1.25 -1.11 117.46 127.43 2k87 n PHE 55 Ca -0.21 0.40 0.09 0.00 -0.76 0.00 0.00 57.45 56.96 2k87 n PHE 55 Cb 0.52 -2.02 0.48 0.00 0.35 0.00 0.00 39.48 38.82 2k87 n PHE 55 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2k87 n PRO 56 N -1.01 0.44 -2.37 -7.13 -0.04 -1.26 -5.04 135.00 118.59 2k87 n PRO 56 Ca 0.12 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.20 2k87 n PRO 56 Cb 0.49 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 2k87 n PRO 56 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2k87 s ASP 57 N -2.20 7.01 0.00 3.54 -1.08 -0.26 -4.89 116.67 118.79 2k87 s ASP 57 Ca 0.23 2.02 0.02 0.00 -0.52 0.00 0.00 52.55 54.30 2k87 s ASP 57 Cb 0.12 -2.57 0.04 0.00 -1.46 0.00 0.00 42.92 39.04 2k87 s ASP 57 CO 0.22 -0.55 0.92 0.00 0.52 0.00 0.00 175.17 176.27 2k87 n LEU 58 N 4.44 0.06 0.11 -1.34 -0.00 -1.26 -2.83 117.00 116.19 2k87 n LEU 58 Ca 0.10 -1.11 0.13 0.00 -0.00 0.00 0.00 56.01 55.12 2k87 n LEU 58 Cb 0.45 0.00 0.28 0.00 -0.00 0.00 0.00 43.42 44.16 2k87 n LEU 58 CO 0.56 0.45 0.69 0.78 -0.00 0.00 0.00 177.39 179.87 2k87 h ASN 59 N 0.09 0.00 -4.20 1.45 2.35 -1.90 -3.46 115.58 109.91 2k87 h ASN 59 Ca -0.03 -0.06 -0.51 0.00 -0.55 0.00 0.00 56.30 55.15 2k87 h ASN 59 Cb 1.37 0.00 0.19 0.00 0.05 0.00 0.00 38.32 39.93 2k87 h ASN 59 CO 0.00 0.03 0.21 -0.83 -1.65 0.00 0.00 177.43 175.19 2k87 s GLY 60 N -3.74 1.68 0.40 2.83 0.00 -1.26 -4.92 107.32 102.31 2k87 s GLY 60 Ca 0.08 0.52 0.09 0.00 0.00 0.00 0.00 44.72 45.41 2k87 s GLY 60 CO 0.65 0.96 2.00 -1.80 0.00 0.00 0.00 173.10 174.91 2k87 h ASP 61 N -1.89 0.50 -3.01 1.64 1.82 -1.70 -3.42 116.42 110.36 2k87 h ASP 61 Ca -0.44 -0.00 -0.59 0.00 -0.39 0.00 0.00 57.03 55.61 2k87 h ASP 61 Cb 1.27 -0.11 -0.17 0.00 0.68 0.00 0.00 39.33 41.00 2k87 h ASP 61 CO 0.43 0.33 -0.79 -0.69 -1.61 0.00 0.00 179.24 176.91 2k87 s VAL 62 N -5.52 2.20 0.35 2.25 1.01 -0.69 -4.77 120.40 115.23 2k87 s VAL 62 Ca -0.09 -2.12 0.08 0.00 0.00 0.00 0.00 61.98 59.85 2k87 s VAL 62 Cb 0.19 -2.09 -0.07 0.00 0.00 0.00 0.00 36.38 34.41 2k87 s VAL 62 CO 0.75 -0.29 -0.05 -0.69 0.00 0.00 0.00 175.10 174.82 2k87 s VAL 63 N -2.12 1.98 0.13 2.92 1.01 -0.64 -3.14 120.40 120.55 2k87 s VAL 63 Ca 0.22 -2.12 0.05 0.00 0.00 0.00 0.00 61.98 60.13 2k87 s VAL 63 Cb -0.06 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2k87 s VAL 63 CO 0.10 -0.14 -0.11 0.00 0.00 0.00 0.00 175.10 174.94 2k87 s ALA 64 N -2.76 1.39 -0.02 5.51 0.00 -1.18 -2.00 121.76 122.70 2k87 s ALA 64 Ca 0.33 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.94 2k87 s ALA 64 Cb 0.05 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.18 2k87 s ALA 64 CO 0.16 -0.02 -0.04 0.42 0.00 0.00 0.00 175.76 176.28 2k87 s ILE 65 N -2.76 0.35 0.32 0.00 -1.09 0.94 -3.74 121.20 115.23 2k87 s ILE 65 Ca 0.12 -0.13 -0.29 0.00 -2.23 0.00 0.00 60.65 58.12 2k87 s ILE 65 Cb -0.01 -0.34 -0.11 0.00 -1.58 0.00 0.00 42.46 40.42 2k87 s ILE 65 CO 0.01 0.13 1.53 -0.62 -1.23 0.00 0.00 174.94 174.76 2k87 s ASP 66 N 0.28 6.41 0.51 3.58 2.15 -1.26 -1.15 116.67 127.19 2k87 s ASP 66 Ca -0.03 2.94 0.16 0.00 0.43 0.00 0.00 52.55 56.05 2k87 s ASP 66 Cb -0.06 -2.65 0.86 0.00 -0.30 0.00 0.00 42.92 40.77 2k87 s ASP 66 CO -0.00 -0.86 1.42 0.22 -0.17 0.00 0.00 175.17 175.78 2k87 h TYR 67 N 4.18 0.00 0.00 -5.34 5.03 -1.38 -2.92 116.97 116.55 2k87 h TYR 67 Ca -0.48 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.83 2k87 h TYR 67 Cb 1.23 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.51 2k87 h TYR 67 CO 0.57 0.00 0.28 0.07 -1.32 0.00 0.00 178.16 177.76 2k87 h ARG 68 N 0.00 0.00 -0.43 1.82 0.11 -1.89 0.45 114.38 114.44 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 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 2k87 h ARG 68 CO 0.00 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.79 2k87 n HIS 69 N -2.64 0.56 -1.63 4.08 8.25 -1.10 -4.87 115.22 117.86 2k87 n HIS 69 Ca -0.02 -0.32 -0.40 0.00 -0.26 0.00 0.00 57.72 56.72 2k87 n HIS 69 Cb 0.33 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.40 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 1.32 2.79 -1.33 4.41 9.36 0.15 -4.94 117.16 128.92 2k87 n TYR 70 Ca 0.18 -2.18 -0.31 0.00 3.32 0.00 0.00 57.90 58.91 2k87 n TYR 70 Cb 0.56 -2.20 0.09 0.00 -0.63 0.00 0.00 39.34 37.15 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 4.69 4.57 0.56 2.98 0.01 -1.26 -4.93 113.70 120.32 2k87 s SER 71 Ca 0.56 1.86 0.38 0.00 1.31 0.00 0.00 55.95 60.06 2k87 s SER 71 Cb 0.10 -2.53 2.02 0.00 0.21 0.00 0.00 66.02 65.83 2k87 s SER 71 CO 0.06 -1.99 2.15 0.00 0.41 0.00 0.00 173.24 173.87 2k87 h ALA 72 N -0.95 1.00 -0.21 1.44 0.00 -2.02 -1.99 119.26 116.53 2k87 h ALA 72 Ca -0.44 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.53 2k87 h ALA 72 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2k87 h ALA 72 CO 0.52 0.00 0.24 0.77 0.00 0.00 0.00 179.25 180.77 2k87 h SER 73 N 0.00 0.00 -0.21 0.00 0.02 -1.96 -3.06 113.55 108.33 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 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2k87 h SER 73 CO 0.00 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 2k87 n PHE 74 N -3.79 0.58 -0.20 3.45 3.72 -0.75 -4.74 117.46 115.74 2k87 n PHE 74 Ca 0.02 -0.77 -0.02 0.00 -0.05 0.00 0.00 57.45 56.62 2k87 n PHE 74 Cb 0.37 -0.19 0.08 0.00 -0.94 0.00 0.00 39.48 38.79 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 1.38 0.53 -0.01 -1.08 1.63 -1.69 -0.69 116.57 116.64 2k87 h LYS 75 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2k87 h LYS 75 Cb 1.11 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 2k87 h LYS 75 CO 0.11 0.35 -0.07 1.63 -3.45 0.00 0.00 179.45 178.02 2k87 n LYS 76 N -4.87 1.35 0.00 1.90 5.02 -1.26 -4.92 118.16 115.38 2k87 n LYS 76 Ca 0.07 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.62 2k87 n LYS 76 Cb 0.18 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.21 3.54 3.58 0.72 0.00 -0.27 -4.25 105.19 109.72 2k87 n GLY 77 Ca 0.17 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.08 -0.63 0.25 4.61 0.00 -1.26 -1.70 121.76 120.95 2k87 s ALA 78 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 2k87 s ALA 78 Cb 0.00 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 2k87 s ALA 78 CO 0.00 -0.84 0.30 -1.59 0.00 0.00 0.00 175.76 173.63 2k87 s LYS 79 N -3.94 1.49 0.00 0.00 -2.85 0.13 -4.15 119.74 110.41 2k87 s LYS 79 Ca 0.15 -1.60 0.00 0.00 -1.00 0.00 0.00 55.97 53.52 2k87 s LYS 79 Cb -0.01 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 2k87 s LYS 79 CO 0.03 -0.56 0.00 -0.11 0.10 0.00 0.00 175.35 174.81 2k87 n LEU 80 N -0.39 0.00 -0.04 2.77 7.94 0.22 -1.89 117.00 125.60 2k87 n LEU 80 Ca 0.02 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.85 2k87 n LEU 80 Cb 0.64 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.54 2k87 n LEU 80 CO 0.29 0.00 0.50 0.25 -1.11 0.00 0.00 177.39 177.32 2k87 h LEU 81 N 0.00 -0.79 0.00 -1.96 6.46 -1.92 -3.39 115.31 113.71 2k87 h LEU 81 Ca 0.00 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2k87 h LEU 81 Cb 0.00 0.32 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2k87 h LEU 81 CO 0.00 -0.19 -0.41 0.00 -0.62 0.00 0.00 178.44 177.22 2k87 n HIS 82 N -3.85 0.00 -4.06 1.25 1.44 -1.26 -5.10 115.22 103.64 2k87 n HIS 82 Ca -0.02 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.47 2k87 n HIS 82 Cb 0.16 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.23 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 -0.97 3.12 0.46 -1.40 1.02 -1.26 -5.11 119.74 115.59 2k87 s LYS 83 Ca 0.00 -0.91 -0.15 0.00 0.02 0.00 0.00 55.97 54.93 2k87 s LYS 83 Cb 0.00 -2.70 -0.08 0.00 -0.52 0.00 0.00 37.83 34.53 2k87 s LYS 83 CO 0.00 0.43 0.90 -1.25 -0.92 0.00 0.00 175.35 174.51 2k87 s PRO 84 N -3.75 3.94 0.36 -1.68 0.04 -1.26 -0.61 135.00 132.03 2k87 s PRO 84 Ca 0.33 0.82 0.06 0.00 0.04 0.00 0.00 61.00 62.25 2k87 s PRO 84 Cb -0.09 -2.23 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 2k87 s PRO 84 CO 0.26 -0.14 0.02 0.96 0.04 0.00 0.00 177.00 178.14 2k87 s ILE 85 N -2.45 1.65 0.05 0.56 -5.25 -1.26 -1.62 121.20 112.88 2k87 s ILE 85 Ca 0.57 -2.02 -0.01 0.00 -0.99 0.00 0.00 60.65 58.20 2k87 s ILE 85 Cb -0.10 -2.85 -0.04 0.00 2.95 0.00 0.00 42.46 42.42 2k87 s ILE 85 CO 0.28 -0.03 -0.03 0.68 -1.79 0.00 0.00 174.94 174.04 2k87 s VAL 86 N -2.97 0.22 0.16 8.37 -7.23 -0.85 -4.87 120.40 113.24 2k87 s VAL 86 Ca 0.35 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.44 2k87 s VAL 86 Cb 0.09 -1.48 -0.07 0.00 0.56 0.00 0.00 36.38 35.47 2k87 s VAL 86 CO 0.16 -0.98 0.94 0.26 -0.31 0.00 0.00 175.10 175.17 2k87 s TRP 87 N -3.84 3.88 0.16 2.82 0.52 -1.26 -0.04 118.94 121.18 2k87 s TRP 87 Ca 0.06 1.83 0.04 0.00 0.02 0.00 0.00 56.10 58.05 2k87 s TRP 87 Cb 0.07 -3.01 -0.05 0.00 -1.15 0.00 0.00 33.47 29.34 2k87 s TRP 87 CO -0.10 0.32 -0.07 -3.38 0.02 0.00 0.00 176.95 173.74 2k87 s HIS 88 N -0.51 1.26 -0.24 -1.98 -3.43 -0.30 -4.88 115.29 105.21 2k87 s HIS 88 Ca 0.44 -0.82 -0.03 0.00 -0.80 0.00 0.00 55.06 53.84 2k87 s HIS 88 Cb -0.24 -0.67 0.10 0.00 -1.43 0.00 0.00 32.58 30.34 2k87 s HIS 88 CO 0.30 0.01 0.22 0.42 -2.00 0.00 0.00 174.74 173.69 2k87 s ILE 89 N -3.40 -0.29 -1.85 -5.38 1.01 -1.25 -0.89 121.20 109.14 2k87 s ILE 89 Ca 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.51 2k87 s ILE 89 Cb 0.04 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2k87 s ILE 89 CO 0.01 -0.37 0.00 0.59 0.00 0.00 0.00 174.94 175.18 2k87 n ASN 90 N 5.30 -5.91 -2.88 3.58 5.03 -1.26 0.02 115.26 119.15 2k87 n ASN 90 Ca -0.05 0.05 -0.20 0.00 0.87 0.00 0.00 54.58 55.25 2k87 n ASN 90 Cb 0.47 -4.95 0.01 0.00 -1.02 0.00 0.00 39.78 34.30 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 -2.94 -3.49 -3.71 3.52 3.00 -1.26 -4.98 117.38 107.52 2k87 n GLN 91 Ca -0.24 0.77 -0.22 0.00 -0.01 0.00 0.00 57.00 57.30 2k87 n GLN 91 Cb 0.69 -5.52 -0.18 0.00 0.00 0.00 0.00 30.24 25.23 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 -3.00 0.45 -0.49 -1.58 0.00 0.10 -4.24 121.76 113.01 2k87 s ALA 92 Ca 0.21 0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.91 2k87 s ALA 92 Cb -0.10 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.33 2k87 s ALA 92 CO 0.27 -0.53 1.33 -0.08 0.00 0.00 0.00 175.76 176.75 2k87 s THR 93 N 2.08 3.94 0.71 0.00 -1.32 -1.26 -3.97 115.64 115.82 2k87 s THR 93 Ca 0.05 0.91 -0.08 0.00 -1.21 0.00 0.00 61.69 61.35 2k87 s THR 93 Cb -0.12 -4.42 0.05 0.00 -1.51 0.00 0.00 72.50 66.50 2k87 s THR 93 CO -0.04 -1.00 1.04 0.42 -2.21 0.00 0.00 174.62 172.83 2k87 s THR 94 N 5.37 2.63 -2.00 5.08 -4.23 -1.26 -4.79 115.64 116.44 2k87 s THR 94 Ca 0.54 -0.06 0.14 0.00 -1.18 0.00 0.00 61.69 61.12 2k87 s THR 94 Cb -0.11 -3.15 0.39 0.00 1.34 0.00 0.00 72.50 70.98 2k87 s THR 94 CO 0.30 -0.17 1.27 0.29 -0.54 0.00 0.00 174.62 175.77 2k87 n LYS 95 N -2.95 0.59 -0.02 3.99 5.02 -1.26 -0.27 118.16 123.27 2k87 n LYS 95 Ca 0.07 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.32 2k87 n LYS 95 Cb 0.60 -1.36 -0.12 0.00 -0.02 0.00 0.00 35.03 34.12 2k87 n LYS 95 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2k87 n THR 96 N -0.86 1.32 0.72 -0.18 -1.04 -1.26 -4.56 114.28 108.41 2k87 n THR 96 Ca 0.10 -0.75 0.08 0.00 -2.04 0.00 0.00 64.05 61.44 2k87 n THR 96 Cb 0.05 -0.75 -0.05 0.00 -1.82 0.00 0.00 70.33 67.75 2k87 n THR 96 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2k87 n THR 97 N -2.88 0.00 0.23 12.58 -2.24 -0.03 -4.39 114.28 117.54 2k87 n THR 97 Ca -0.17 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 2k87 n THR 97 Cb 0.97 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 70.24 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 0.80 -0.54 -0.43 4.78 3.57 -0.87 -2.76 116.94 121.48 2k87 h PHE 98 Ca 0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 2k87 h PHE 98 Cb 0.44 0.18 -0.09 0.00 2.79 0.00 0.00 35.95 39.27 2k87 h PHE 98 CO 0.00 -0.34 -0.17 0.87 -2.23 0.00 0.00 178.31 176.44 2k87 h LYS 99 N -0.66 -0.08 0.00 1.11 1.57 -1.80 0.15 116.57 116.85 2k87 h LYS 99 Ca -0.06 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2k87 h LYS 99 Cb 0.45 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2k87 h LYS 99 CO 0.10 -0.05 -0.40 -1.00 -0.57 0.00 0.00 179.45 177.53 2k87 h PRO 100 N -0.08 0.00 0.00 3.15 0.13 -1.77 -2.86 132.00 130.57 2k87 h PRO 100 Ca 0.21 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.31 2k87 h PRO 100 Cb 0.40 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.53 2k87 h PRO 100 CO -0.49 0.40 -0.15 -0.91 -0.23 0.00 0.00 178.00 176.62 2k87 h ASN 101 N 0.00 0.00 -0.95 1.44 2.35 -0.66 -2.05 115.58 115.72 2k87 h ASN 101 Ca -0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 2k87 h ASN 101 Cb 0.76 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.07 2k87 h ASN 101 CO 0.05 0.15 0.60 0.71 -1.65 0.00 0.00 177.43 177.30 2k87 h THR 102 N 0.00 1.07 -0.19 2.81 1.35 -1.24 -1.01 112.91 115.69 2k87 h THR 102 Ca -0.00 -0.38 -0.09 0.00 -0.55 0.00 0.00 66.41 65.40 2k87 h THR 102 Cb 0.32 -0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.61 2k87 h THR 102 CO 0.02 0.20 -0.26 -0.50 -0.25 0.00 0.00 175.52 174.73 2k87 h TRP 103 N 1.09 0.41 0.10 4.73 4.06 -1.53 -0.74 115.95 124.08 2k87 h TRP 103 Ca 0.41 -0.08 -0.00 0.00 2.06 0.00 0.00 58.89 61.27 2k87 h TRP 103 Cb 0.17 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 2k87 h TRP 103 CO -0.01 0.60 -0.05 0.00 -3.56 0.00 0.00 178.44 175.42 2k87 h LEU 105 N -0.18 0.94 -2.56 0.00 3.38 -0.25 0.81 115.31 117.44 2k87 h LEU 105 Ca -0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2k87 h LEU 105 Cb 0.15 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2k87 h LEU 105 CO 0.02 0.74 -0.01 0.03 0.09 0.00 0.00 178.44 179.31 2k87 h ARG 106 N 1.07 0.00 -0.01 1.13 3.08 -1.18 0.95 114.38 119.41 2k87 h ARG 106 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2k87 h ARG 106 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2k87 h ARG 106 CO -0.05 0.01 -0.34 0.00 -1.07 0.00 0.00 179.97 178.52 2k87 n LEU 108 N -0.05 0.56 -4.41 0.00 4.77 0.13 -4.89 117.00 113.11 2k87 n LEU 108 Ca 0.11 -0.18 -0.29 0.00 -0.03 0.00 0.00 56.01 55.63 2k87 n LEU 108 Cb 0.44 -0.04 0.25 0.00 -2.33 0.00 0.00 43.42 41.75 2k87 n LEU 108 CO 0.26 0.10 0.27 0.79 -1.33 0.00 0.00 177.39 177.48 2k87 n TRP 109 N -1.90 -1.49 -3.79 -1.77 7.02 -0.03 -4.95 117.44 110.53 2k87 n TRP 109 Ca 0.01 -0.15 -0.20 0.00 -1.02 0.00 0.00 57.50 56.13 2k87 n TRP 109 Cb 0.44 -1.64 -0.02 0.00 -2.42 0.00 0.00 31.31 27.66 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 -2.27 5.82 0.52 -0.99 0.15 -0.56 -4.87 113.70 111.50 2k87 s SER 110 Ca 0.66 -0.20 -0.00 0.00 0.70 0.00 0.00 55.95 57.10 2k87 s SER 110 Cb -0.23 -1.36 0.02 0.00 -1.71 0.00 0.00 66.02 62.74 2k87 s SER 110 CO 0.66 -0.25 0.76 0.42 1.20 0.00 0.00 173.24 176.03 2k87 s THR 111 N -2.15 3.30 -0.01 6.45 -4.23 -1.26 0.06 115.64 117.81 2k87 s THR 111 Ca 0.39 -0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 60.40 2k87 s THR 111 Cb -0.08 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.51 2k87 s THR 111 CO 0.28 -0.19 0.01 1.17 -0.54 0.00 0.00 174.62 175.36 2k87 n LYS 112 N -2.30 -1.33 -2.10 3.99 3.00 -1.26 -4.92 118.16 113.24 2k87 n LYS 112 Ca 0.05 1.21 -0.34 0.00 -0.00 0.00 0.00 58.31 59.22 2k87 n LYS 112 Cb 0.59 -1.04 0.02 0.00 0.00 0.00 0.00 35.03 34.59 2k87 n LYS 112 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2k87 s PRO 113 N -0.04 3.19 -0.41 1.64 0.04 -1.26 -5.00 135.00 133.15 2k87 s PRO 113 Ca -0.02 1.52 0.06 0.00 0.04 0.00 0.00 61.00 62.61 2k87 s PRO 113 Cb 0.00 -1.99 0.21 0.00 0.04 0.00 0.00 34.50 32.76 2k87 s PRO 113 CO 0.04 -0.97 0.47 1.55 0.04 0.00 0.00 177.00 178.13 2k87 n VAL 114 N -1.67 -0.87 -0.23 -0.36 3.14 -1.26 -4.85 118.33 112.23 2k87 n VAL 114 Ca 0.11 -3.44 0.00 0.00 -2.96 0.00 0.00 64.34 58.05 2k87 n VAL 114 Cb 0.51 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 31.82 2k87 n VAL 114 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2k87 n ASP 115 N 2.17 0.00 -0.32 6.55 8.00 -1.26 -5.12 116.55 126.57 2k87 n ASP 115 Ca 0.24 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.89 2k87 n ASP 115 Cb 0.51 -1.47 0.66 0.00 -0.02 0.00 0.00 41.12 40.80 2k87 n ASP 115 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22