#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k87 n TYR 2 N 0.00 -3.43 -1.98 1.12 9.36 -1.26 -4.98 117.16 115.99 2k87 n TYR 2 Ca 0.00 1.84 0.00 0.00 3.32 0.00 0.00 57.90 63.06 2k87 n TYR 2 Cb 0.00 -3.12 0.00 0.00 -0.63 0.00 0.00 39.34 35.59 2k87 n TYR 2 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 2k87 n THR 3 N -4.13 0.00 -4.99 2.97 -1.04 -1.26 -5.15 114.28 100.68 2k87 n THR 3 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2k87 n THR 3 Cb 0.61 0.18 0.00 0.00 -1.82 0.00 0.00 70.33 69.30 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 -2.81 -2.82 0.00 -1.26 -4.52 120.64 109.23 2k87 n GLU 4 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 2k87 n GLU 4 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.98 2k87 n GLU 4 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 2k87 s GLN 5 N 0.00 3.71 1.10 5.31 -0.21 -1.26 -5.11 119.66 123.20 2k87 s GLN 5 Ca 0.00 0.39 -0.15 0.00 0.02 0.00 0.00 55.36 55.62 2k87 s GLN 5 Cb 0.00 -2.39 0.24 0.00 1.00 0.00 0.00 33.01 31.85 2k87 s GLN 5 CO 0.00 -0.07 1.09 -1.25 -2.12 0.00 0.00 175.29 172.94 2k87 s PRO 6 N -4.07 -0.40 -1.17 2.91 0.04 -1.26 -4.88 135.00 126.18 2k87 s PRO 6 Ca 0.50 0.28 -0.23 0.00 0.04 0.00 0.00 61.00 61.60 2k87 s PRO 6 Cb -0.10 -1.66 -0.07 0.00 0.04 0.00 0.00 34.50 32.70 2k87 s PRO 6 CO 0.35 -3.24 1.92 0.42 0.04 0.00 0.00 177.00 176.49 2k87 s ILE 7 N -2.94 3.57 -0.77 0.56 1.01 -1.26 -4.11 121.20 117.26 2k87 s ILE 7 Ca 0.68 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2k87 s ILE 7 Cb -0.15 -4.57 0.00 0.00 0.01 0.00 0.00 42.46 37.75 2k87 s ILE 7 CO 0.57 -1.06 0.00 0.47 0.00 0.00 0.00 174.94 174.93 2k87 n ASP 8 N 13.95 -2.21 -4.69 3.58 8.00 -1.26 -4.79 116.55 129.13 2k87 n ASP 8 Ca 0.45 0.22 -0.39 0.00 0.71 0.00 0.00 54.79 55.78 2k87 n ASP 8 Cb 0.47 -2.18 -0.06 0.00 -0.02 0.00 0.00 41.12 39.32 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 -3.60 4.22 -0.07 0.64 0.20 -1.26 -4.24 118.68 114.58 2k87 s LEU 9 Ca 0.00 0.78 0.04 0.00 0.69 0.00 0.00 54.13 55.64 2k87 s LEU 9 Cb 0.00 -2.74 -0.00 0.00 -0.43 0.00 0.00 46.19 43.02 2k87 s LEU 9 CO 0.00 -0.10 -0.20 0.68 -0.29 0.00 0.00 176.35 176.44 2k87 s VAL 10 N 1.13 1.67 0.99 1.68 -7.23 -0.39 -4.91 120.40 113.35 2k87 s VAL 10 Ca 0.26 -0.83 -0.11 0.00 -1.81 0.00 0.00 61.98 59.49 2k87 s VAL 10 Cb -0.15 -1.45 0.19 0.00 0.56 0.00 0.00 36.38 35.52 2k87 s VAL 10 CO 0.10 0.47 1.09 -2.84 -0.31 0.00 0.00 175.10 173.62 2k87 s PRO 11 N 0.21 0.46 0.26 4.82 0.02 -1.26 -0.42 135.00 139.09 2k87 s PRO 11 Ca -0.10 1.18 -0.09 0.00 0.02 0.00 0.00 61.00 62.01 2k87 s PRO 11 Cb -0.15 -1.69 0.04 0.00 0.02 0.00 0.00 34.50 32.72 2k87 s PRO 11 CO 0.05 -2.89 0.51 -2.37 -0.33 0.00 0.00 177.00 171.96 2k87 n THR 12 N -4.38 0.00 -3.93 0.99 5.66 -0.75 -4.65 114.28 107.22 2k87 n THR 12 Ca 0.08 -0.72 -0.09 0.00 -3.05 0.00 0.00 64.05 60.27 2k87 n THR 12 Cb 0.53 0.67 -0.08 0.00 -1.55 0.00 0.00 70.33 69.91 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 -2.11 0.88 0.86 1.09 -2.07 -1.26 -3.48 119.66 113.56 2k87 s GLN 13 Ca 0.12 -1.08 -0.11 0.00 -1.82 0.00 0.00 55.36 52.47 2k87 s GLN 13 Cb -0.03 0.32 0.11 0.00 -1.09 0.00 0.00 33.01 32.32 2k87 s GLN 13 CO 0.09 -0.27 1.09 -1.25 -1.32 0.00 0.00 175.29 173.62 2k87 s PRO 14 N -3.91 1.57 0.32 9.60 0.04 -1.26 -4.96 135.00 136.41 2k87 s PRO 14 Ca 0.09 0.92 0.07 0.00 0.04 0.00 0.00 61.00 62.12 2k87 s PRO 14 Cb 0.05 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 2k87 s PRO 14 CO -0.08 -2.05 0.41 -0.48 0.04 0.00 0.00 177.00 174.84 2k87 s LEU 15 N -6.12 3.93 0.65 -3.56 2.34 -1.26 -5.08 118.68 109.58 2k87 s LEU 15 Ca 0.63 -0.23 -0.11 0.00 0.06 0.00 0.00 54.13 54.48 2k87 s LEU 15 Cb -0.18 -2.63 -0.02 0.00 -0.56 0.00 0.00 46.19 42.80 2k87 s LEU 15 CO 0.57 -0.36 1.04 -2.16 -1.06 0.00 0.00 176.35 174.38 2k87 s PRO 16 N -4.10 3.29 0.00 1.48 0.04 -1.26 -3.64 135.00 130.82 2k87 s PRO 16 Ca 0.42 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2k87 s PRO 16 Cb -0.09 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2k87 s PRO 16 CO 0.30 -0.82 0.00 0.09 0.04 0.00 0.00 177.00 176.61 2k87 n ASN 17 N -2.87 0.00 -4.71 6.66 5.03 -1.26 -4.87 115.26 113.24 2k87 n ASN 17 Ca 0.07 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.09 2k87 n ASN 17 Cb 0.54 -0.30 -0.03 0.00 -1.02 0.00 0.00 39.78 38.96 2k87 n ASN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k87 n ALA 18 N 0.60 2.29 -3.19 5.41 0.00 -1.24 -3.57 120.51 120.81 2k87 n ALA 18 Ca 0.00 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.72 2k87 n ALA 18 Cb 0.00 -2.45 -0.10 0.00 0.00 0.00 0.00 19.45 16.90 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 0.95 -0.20 -0.21 0.00 1.04 0.27 -4.83 113.70 110.71 2k87 s SER 19 Ca 0.74 0.25 -0.29 0.00 0.48 0.00 0.00 55.95 57.14 2k87 s SER 19 Cb -0.56 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 2k87 s SER 19 CO 0.37 -0.28 1.98 0.12 0.98 0.00 0.00 173.24 176.41 2k87 s PHE 20 N -0.69 1.49 0.39 5.02 5.36 -1.26 -1.27 117.98 127.02 2k87 s PHE 20 Ca -0.08 0.43 -0.01 0.00 -0.96 0.00 0.00 56.93 56.31 2k87 s PHE 20 Cb -0.04 -4.03 -0.03 0.00 -0.34 0.00 0.00 43.02 38.58 2k87 s PHE 20 CO 0.02 -3.81 0.62 0.34 -1.46 0.00 0.00 175.22 170.93 2k87 s ASP 21 N 6.59 6.26 0.00 6.13 2.15 -1.26 -4.94 116.67 131.59 2k87 s ASP 21 Ca 0.89 0.57 0.00 0.00 0.43 0.00 0.00 52.55 54.44 2k87 s ASP 21 Cb -0.30 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2k87 s ASP 21 CO 0.35 -0.40 0.40 0.59 -0.17 0.00 0.00 175.17 175.94 2k87 n ASN 22 N -1.93 1.14 -4.75 -0.34 4.13 -1.26 -4.82 115.26 107.43 2k87 n ASN 22 Ca -0.03 -0.90 -0.40 0.00 1.68 0.00 0.00 54.58 54.93 2k87 n ASN 22 Cb 0.56 -0.23 0.02 0.00 -1.54 0.00 0.00 39.78 38.60 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 0.66 2.59 -3.97 3.10 1.16 -1.26 -0.48 117.46 119.25 2k87 n PHE 23 Ca 0.00 0.44 -0.23 0.00 -1.87 0.00 0.00 57.45 55.79 2k87 n PHE 23 Cb 0.20 -2.44 -0.03 0.00 -1.61 0.00 0.00 39.48 35.61 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 -2.51 3.39 0.16 3.97 2.20 0.06 -4.87 119.74 122.13 2k87 s LYS 24 Ca 0.63 -0.72 0.08 0.00 -0.36 0.00 0.00 55.97 55.60 2k87 s LYS 24 Cb -0.45 -2.89 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 2k87 s LYS 24 CO 0.56 0.46 -0.07 -0.48 -0.36 0.00 0.00 175.35 175.46 2k87 s LEU 25 N -3.66 3.09 0.14 5.43 0.05 -1.26 -2.32 118.68 120.14 2k87 s LEU 25 Ca 0.34 -0.47 0.02 0.00 0.05 0.00 0.00 54.13 54.07 2k87 s LEU 25 Cb -0.10 -1.80 -0.04 0.00 -2.05 0.00 0.00 46.19 42.20 2k87 s LEU 25 CO 0.28 0.12 -0.04 0.42 -0.55 0.00 0.00 176.35 176.59 2k87 s THR 26 N -1.56 0.74 0.01 5.48 -4.23 0.14 -4.88 115.64 111.34 2k87 s THR 26 Ca 0.25 -1.97 -0.28 0.00 -1.18 0.00 0.00 61.69 58.51 2k87 s THR 26 Cb -0.10 -1.90 0.09 0.00 1.34 0.00 0.00 72.50 71.94 2k87 s THR 26 CO 0.16 -0.68 0.81 0.00 -0.54 0.00 0.00 174.62 174.38 2k87 h SER 28 N 2.14 -1.38 -2.79 0.00 0.02 -1.99 -3.38 113.55 106.17 2k87 h SER 28 Ca -0.25 0.15 -0.56 0.00 -0.84 0.00 0.00 61.79 60.29 2k87 h SER 28 Cb 1.24 0.51 -0.03 0.00 0.14 0.00 0.00 62.40 64.27 2k87 h SER 28 CO 0.33 -0.52 1.05 0.21 -1.14 0.00 0.00 176.83 176.76 2k87 s ASN 29 N -4.68 6.60 0.12 3.07 3.84 -1.26 -4.92 114.94 117.71 2k87 s ASN 29 Ca -0.16 1.76 -0.25 0.00 0.21 0.00 0.00 52.86 54.42 2k87 s ASN 29 Cb 0.07 -2.53 -0.07 0.00 -0.55 0.00 0.00 41.25 38.17 2k87 s ASN 29 CO 0.62 -1.05 1.66 0.71 -2.79 0.00 0.00 177.10 176.25 2k87 h THR 30 N 5.84 0.53 -0.63 -5.21 1.35 -1.94 -2.64 112.91 110.21 2k87 h THR 30 Ca -0.33 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.55 2k87 h THR 30 Cb 1.14 0.53 -0.04 0.00 -1.73 0.00 0.00 68.15 68.06 2k87 h THR 30 CO 0.98 0.00 0.40 0.50 -0.25 0.00 0.00 175.52 177.16 2k87 h LYS 31 N -0.35 0.79 -0.05 4.72 1.63 -1.92 -1.13 116.57 120.26 2k87 h LYS 31 Ca 0.05 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 2k87 h LYS 31 Cb 0.40 -0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 2k87 h LYS 31 CO -0.16 0.52 -0.25 0.35 -3.45 0.00 0.00 179.45 176.46 2k87 h PHE 32 N 0.81 -0.66 -0.19 1.91 3.57 -1.74 0.14 116.94 120.79 2k87 h PHE 32 Ca 0.24 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 2k87 h PHE 32 Cb -0.05 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2k87 h PHE 32 CO -0.04 -0.33 -0.14 0.00 -2.23 0.00 0.00 178.31 175.57 2k87 h ALA 33 N 0.52 1.42 0.04 2.41 0.00 -1.30 -1.98 119.26 120.36 2k87 h ALA 33 Ca 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k87 h ALA 33 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k87 h ALA 33 CO -0.26 0.40 -0.02 0.22 0.00 0.00 0.00 179.25 179.60 2k87 h ASP 34 N 0.29 -0.04 -0.66 0.00 1.82 -0.39 -1.83 116.42 115.61 2k87 h ASP 34 Ca 0.06 -0.61 -0.04 0.00 -0.39 0.00 0.00 57.03 56.04 2k87 h ASP 34 Cb 0.43 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.42 2k87 h ASP 34 CO 0.03 0.62 0.25 -0.78 -1.61 0.00 0.00 179.24 177.75 2k87 h ASP 35 N -0.75 0.94 0.06 2.28 1.82 -0.76 -0.19 116.42 119.81 2k87 h ASP 35 Ca -0.01 -0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.49 2k87 h ASP 35 Cb 0.65 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.42 2k87 h ASP 35 CO 0.01 0.85 -0.03 -0.07 -1.61 0.00 0.00 179.24 178.39 2k87 h LEU 36 N 0.99 -0.06 -1.77 2.28 3.38 -1.44 -2.42 115.31 116.27 2k87 h LEU 36 Ca 0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2k87 h LEU 36 Cb 0.22 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2k87 h LEU 36 CO -0.02 0.06 0.04 0.78 0.09 0.00 0.00 178.44 179.39 2k87 h ASN 37 N -0.18 0.17 -0.46 -0.43 2.35 -0.81 -2.30 115.58 113.92 2k87 h ASN 37 Ca -0.01 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 2k87 h ASN 37 Cb 0.16 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2k87 h ASN 37 CO 0.01 0.17 0.11 1.56 -1.65 0.00 0.00 177.43 177.63 2k87 h GLN 38 N 0.19 0.75 0.31 0.81 1.08 -0.82 -1.97 115.11 115.46 2k87 h GLN 38 Ca 0.05 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2k87 h GLN 38 Cb 0.06 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 2k87 h GLN 38 CO -0.00 0.74 -0.25 0.52 -0.95 0.00 0.00 178.83 178.88 2k87 h MET 39 N 0.62 -0.56 -0.31 1.46 2.86 -0.91 -2.83 114.93 115.26 2k87 h MET 39 Ca 0.14 0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.74 2k87 h MET 39 Cb 0.34 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 2k87 h MET 39 CO 0.00 -0.37 -0.17 0.00 1.06 0.00 0.00 176.91 177.44 2k87 h THR 40 N -0.58 1.25 0.00 2.22 1.03 -1.59 -3.47 112.91 111.77 2k87 h THR 40 Ca -0.02 -1.14 0.00 0.00 -0.01 0.00 0.00 66.41 65.24 2k87 h THR 40 Cb 0.51 1.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.79 2k87 h THR 40 CO -0.02 0.37 0.00 0.61 -0.01 0.00 0.00 175.52 176.47 2k87 n GLY 41 N -0.50 1.29 3.49 2.99 0.00 -0.99 -5.08 105.19 106.39 2k87 n GLY 41 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.11 0.18 -3.77 1.61 7.35 -0.78 -5.02 117.46 115.92 2k87 n PHE 42 Ca 0.00 0.72 -0.13 0.00 -0.76 0.00 0.00 57.45 57.28 2k87 n PHE 42 Cb 0.00 -2.08 -0.14 0.00 0.35 0.00 0.00 39.48 37.61 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 -1.21 -0.03 0.82 -2.13 2.01 -1.26 -4.96 115.64 108.86 2k87 s THR 43 Ca 0.62 0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.63 2k87 s THR 43 Cb -0.71 -0.21 0.08 0.00 0.01 0.00 0.00 72.50 71.67 2k87 s THR 43 CO 0.58 0.05 1.11 -0.54 -0.69 0.00 0.00 174.62 175.13 2k87 s LYS 44 N 0.83 1.92 0.24 4.92 1.02 -1.26 -4.10 119.74 123.31 2k87 s LYS 44 Ca -0.06 0.54 -0.30 0.00 0.02 0.00 0.00 55.97 56.17 2k87 s LYS 44 Cb -0.08 -1.91 -0.10 0.00 -0.52 0.00 0.00 37.83 35.22 2k87 s LYS 44 CO -0.04 -1.71 1.43 -2.14 -0.92 0.00 0.00 175.35 171.96 2k87 s PRO 45 N -5.20 4.28 0.06 -1.68 0.02 -1.26 -5.11 135.00 126.12 2k87 s PRO 45 Ca 0.61 2.27 -0.30 0.00 0.02 0.00 0.00 61.00 63.60 2k87 s PRO 45 Cb -0.14 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 2k87 s PRO 45 CO 0.54 -0.40 1.06 0.00 -0.33 0.00 0.00 177.00 177.87 2k87 s ALA 46 N 0.04 3.28 0.39 -1.55 0.00 -1.26 -4.93 121.76 117.73 2k87 s ALA 46 Ca 0.59 0.68 0.18 0.00 0.00 0.00 0.00 51.96 53.41 2k87 s ALA 46 Cb -0.41 -3.36 1.01 0.00 0.00 0.00 0.00 23.12 20.36 2k87 s ALA 46 CO 0.42 -0.26 1.94 1.03 0.00 0.00 0.00 175.76 178.90 2k87 h SER 47 N 6.34 0.00 -5.20 0.00 0.87 -1.12 -3.44 113.55 111.00 2k87 h SER 47 Ca -0.42 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.05 2k87 h SER 47 Cb 1.22 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.04 2k87 h SER 47 CO 0.76 0.24 -0.35 0.00 -0.53 0.00 0.00 176.83 176.95 2k87 s ARG 48 N -4.28 0.97 -0.39 2.24 1.04 -1.25 -4.98 118.95 112.29 2k87 s ARG 48 Ca -0.03 -1.04 0.02 0.00 -1.04 0.00 0.00 55.73 53.64 2k87 s ARG 48 Cb 0.14 0.36 0.11 0.00 -2.04 0.00 0.00 34.95 33.52 2k87 s ARG 48 CO 0.67 -0.33 0.15 -1.21 -0.04 0.00 0.00 175.30 174.54 2k87 s GLU 49 N -3.90 1.35 0.41 3.89 2.02 -1.26 -0.76 118.70 120.45 2k87 s GLU 49 Ca 0.10 -1.87 -0.23 0.00 0.02 0.00 0.00 54.97 52.99 2k87 s GLU 49 Cb 0.04 -2.72 -0.09 0.00 0.10 0.00 0.00 34.13 31.46 2k87 s GLU 49 CO -0.07 -1.04 1.05 -0.48 0.02 0.00 0.00 175.26 174.74 2k87 s LEU 50 N 0.69 4.10 0.16 1.80 0.05 -0.98 -4.88 118.68 119.62 2k87 s LEU 50 Ca 0.14 2.03 0.09 0.00 0.05 0.00 0.00 54.13 56.43 2k87 s LEU 50 Cb -0.21 -4.24 -0.04 0.00 -2.05 0.00 0.00 46.19 39.65 2k87 s LEU 50 CO -0.08 -0.54 -0.11 -0.55 -0.55 0.00 0.00 176.35 174.52 2k87 s SER 51 N -1.62 4.19 0.10 1.48 0.15 -1.26 0.27 113.70 117.01 2k87 s SER 51 Ca 0.59 -0.56 0.04 0.00 0.70 0.00 0.00 55.95 56.72 2k87 s SER 51 Cb -0.21 -0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 63.36 2k87 s SER 51 CO 0.27 0.12 0.06 -0.69 1.20 0.00 0.00 173.24 174.20 2k87 s VAL 52 N -1.56 4.35 0.05 4.45 1.01 0.56 -1.29 120.40 127.95 2k87 s VAL 52 Ca 0.23 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.36 2k87 s VAL 52 Cb -0.09 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 2k87 s VAL 52 CO 0.14 0.07 -0.16 0.42 0.00 0.00 0.00 175.10 175.58 2k87 s THR 53 N -1.44 1.24 0.01 3.92 -4.23 -1.24 -3.72 115.64 110.18 2k87 s THR 53 Ca 0.29 -1.10 -0.29 0.00 -1.18 0.00 0.00 61.69 59.41 2k87 s THR 53 Cb -0.12 -1.12 -0.04 0.00 1.34 0.00 0.00 72.50 72.57 2k87 s THR 53 CO 0.21 0.01 0.92 -0.36 -0.54 0.00 0.00 174.62 174.87 2k87 s PHE 54 N -0.90 3.67 0.69 3.99 0.08 -1.25 -1.30 117.98 122.97 2k87 s PHE 54 Ca 0.02 1.63 -0.17 0.00 0.12 0.00 0.00 56.93 58.54 2k87 s PHE 54 Cb -0.08 -3.05 -0.06 0.00 -0.57 0.00 0.00 43.02 39.26 2k87 s PHE 54 CO 0.02 0.05 0.42 0.34 -0.10 0.00 0.00 175.22 175.95 2k87 n PHE 55 N 3.67 -1.13 1.48 0.36 7.35 -0.38 -1.77 117.46 127.04 2k87 n PHE 55 Ca 0.04 0.36 0.11 0.00 -0.76 0.00 0.00 57.45 57.20 2k87 n PHE 55 Cb 0.51 -1.88 0.67 0.00 0.35 0.00 0.00 39.48 39.12 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 -0.31 0.74 -2.12 -7.13 -0.04 -1.26 -5.02 135.00 119.86 2k87 n PRO 56 Ca 0.10 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 2k87 n PRO 56 Cb 0.50 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 2k87 n PRO 56 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k87 s ASP 57 N -1.97 6.76 0.00 3.54 1.01 -0.73 -4.87 116.67 120.43 2k87 s ASP 57 Ca 0.34 2.25 0.00 0.00 0.71 0.00 0.00 52.55 55.86 2k87 s ASP 57 Cb 0.16 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.53 2k87 s ASP 57 CO 0.26 -0.77 0.99 0.00 0.21 0.00 0.00 175.17 175.86 2k87 n LEU 58 N 5.33 0.01 -0.03 1.23 -0.00 -1.26 -3.85 117.00 118.42 2k87 n LEU 58 Ca 0.14 -1.01 -0.10 0.00 -0.00 0.00 0.00 56.01 55.04 2k87 n LEU 58 Cb 0.42 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.81 2k87 n LEU 58 CO 0.60 0.28 0.92 0.78 -0.00 0.00 0.00 177.39 179.96 2k87 h ASN 59 N 0.01 0.11 -2.85 1.45 2.35 -1.94 -3.45 115.58 111.26 2k87 h ASN 59 Ca -0.00 0.01 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 2k87 h ASN 59 Cb 1.40 -0.01 0.17 0.00 0.05 0.00 0.00 38.32 39.92 2k87 h ASN 59 CO 0.00 0.09 -0.42 0.61 -1.65 0.00 0.00 177.43 176.06 2k87 n GLY 60 N -1.15 -1.56 0.37 2.83 0.00 -1.26 -4.87 105.19 99.54 2k87 n GLY 60 Ca -0.03 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 0.31 0.77 -3.40 1.61 5.19 -1.50 -3.39 116.42 116.01 2k87 h ASP 61 Ca -0.45 0.06 -0.56 0.00 -0.62 0.00 0.00 57.03 55.46 2k87 h ASP 61 Cb 1.40 -0.09 -0.38 0.00 0.18 0.00 0.00 39.33 40.44 2k87 h ASP 61 CO 0.47 0.36 -0.79 -0.69 -3.12 0.00 0.00 179.24 175.48 2k87 s VAL 62 N -5.81 1.13 0.52 -1.35 1.01 -1.10 -4.70 120.40 110.10 2k87 s VAL 62 Ca -0.11 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 2k87 s VAL 62 Cb 0.23 -1.38 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 2k87 s VAL 62 CO 0.80 0.02 1.01 -0.69 0.00 0.00 0.00 175.10 176.24 2k87 s VAL 63 N 1.61 4.13 -0.13 2.92 1.01 -1.12 -3.63 120.40 125.19 2k87 s VAL 63 Ca -0.01 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.12 2k87 s VAL 63 Cb -0.16 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2k87 s VAL 63 CO -0.07 -0.48 -0.19 0.00 0.00 0.00 0.00 175.10 174.35 2k87 s ALA 64 N -2.36 2.34 0.11 5.51 0.00 -0.42 -0.96 121.76 125.99 2k87 s ALA 64 Ca 0.63 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.63 2k87 s ALA 64 Cb -0.13 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2k87 s ALA 64 CO 0.28 0.11 -0.02 0.42 0.00 0.00 0.00 175.76 176.55 2k87 s ILE 65 N 0.60 3.82 0.20 0.00 -1.09 0.15 -1.25 121.20 123.64 2k87 s ILE 65 Ca -0.11 -1.13 -0.30 0.00 -2.23 0.00 0.00 60.65 56.88 2k87 s ILE 65 Cb -0.16 -2.84 -0.09 0.00 -1.58 0.00 0.00 42.46 37.79 2k87 s ILE 65 CO 0.03 0.07 1.36 -0.62 -1.23 0.00 0.00 174.94 174.55 2k87 s ASP 66 N -2.41 6.82 0.66 3.58 -1.08 -1.26 -1.59 116.67 121.37 2k87 s ASP 66 Ca 0.25 2.47 0.11 0.00 -0.52 0.00 0.00 52.55 54.87 2k87 s ASP 66 Cb -0.11 -2.61 0.57 0.00 -1.46 0.00 0.00 42.92 39.30 2k87 s ASP 66 CO 0.17 -0.59 1.31 0.22 0.52 0.00 0.00 175.17 176.80 2k87 h TYR 67 N 5.45 0.00 -0.02 -5.34 5.03 -1.70 -1.90 116.97 118.49 2k87 h TYR 67 Ca -0.45 0.00 0.01 0.00 2.58 0.00 0.00 58.73 60.87 2k87 h TYR 67 Cb 1.21 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.49 2k87 h TYR 67 CO 0.62 0.00 0.29 0.07 -1.32 0.00 0.00 178.16 177.82 2k87 h ARG 68 N 0.00 0.00 -0.00 1.82 0.11 -1.91 0.69 114.38 115.08 2k87 h ARG 68 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2k87 h ARG 68 Cb 1.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.76 2k87 h ARG 68 CO -0.00 0.00 -0.64 0.72 0.10 0.00 0.00 179.97 180.15 2k87 n HIS 69 N -2.96 0.00 -1.97 4.08 8.25 -0.71 -4.87 115.22 117.03 2k87 n HIS 69 Ca -0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.17 2k87 n HIS 69 Cb 0.35 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.82 1.68 0.41 4.41 5.04 0.23 -4.94 117.35 121.37 2k87 s TYR 70 Ca 0.14 0.85 -0.02 0.00 -2.44 0.00 0.00 57.07 55.60 2k87 s TYR 70 Cb 0.17 -3.96 -0.03 0.00 0.35 0.00 0.00 41.96 38.49 2k87 s TYR 70 CO 0.71 -1.84 0.65 0.45 -1.34 0.00 0.00 175.55 174.18 2k87 s SER 71 N 8.51 6.24 0.61 4.32 0.15 -1.26 -4.99 113.70 127.29 2k87 s SER 71 Ca 0.73 0.63 0.31 0.00 0.70 0.00 0.00 55.95 58.32 2k87 s SER 71 Cb -0.09 -2.08 1.70 0.00 -1.71 0.00 0.00 66.02 63.85 2k87 s SER 71 CO 0.04 -0.44 2.05 0.00 1.20 0.00 0.00 173.24 176.09 2k87 h ALA 72 N 0.51 1.68 0.00 5.45 0.00 -2.01 -0.37 119.26 124.52 2k87 h ALA 72 Ca -0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2k87 h ALA 72 Cb 1.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k87 h ALA 72 CO 0.61 -0.35 -0.01 0.77 0.00 0.00 0.00 179.25 180.28 2k87 h SER 73 N 0.00 0.00 -0.36 0.00 0.02 -1.96 -2.89 113.55 108.36 2k87 h SER 73 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2k87 h SER 73 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2k87 h SER 73 CO -0.00 0.01 0.00 0.49 -1.14 0.00 0.00 176.83 176.18 2k87 n PHE 74 N -3.13 1.28 -0.32 3.45 3.72 -0.15 -4.67 117.46 117.65 2k87 n PHE 74 Ca -0.02 -0.83 -0.01 0.00 -0.05 0.00 0.00 57.45 56.55 2k87 n PHE 74 Cb 0.15 -0.37 0.16 0.00 -0.94 0.00 0.00 39.48 38.48 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 2.49 1.20 -0.63 -1.08 1.63 -1.62 -1.07 116.57 117.49 2k87 h LYS 75 Ca 0.00 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2k87 h LYS 75 Cb 1.60 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 2k87 h LYS 75 CO 0.30 0.79 0.00 1.63 -3.45 0.00 0.00 179.45 178.72 2k87 n LYS 76 N -4.40 3.26 0.00 1.90 5.02 -1.26 -4.90 118.16 117.77 2k87 n LYS 76 Ca 0.11 -2.25 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 2k87 n LYS 76 Cb 0.03 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 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 0.88 1.51 3.73 0.72 0.00 -0.40 -4.16 105.19 107.47 2k87 n GLY 77 Ca 0.20 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.79 -0.49 0.20 4.61 0.00 -1.26 -1.81 121.76 121.22 2k87 s ALA 78 Ca 0.00 -0.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 2k87 s ALA 78 Cb 0.00 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.98 2k87 s ALA 78 CO 0.00 -0.95 0.49 -1.59 0.00 0.00 0.00 175.76 173.71 2k87 s LYS 79 N -2.94 1.38 0.00 0.00 -2.85 0.44 -4.21 119.74 111.55 2k87 s LYS 79 Ca 0.18 -0.97 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 2k87 s LYS 79 Cb -0.04 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 2k87 s LYS 79 CO 0.12 -0.57 0.00 -0.11 0.10 0.00 0.00 175.35 174.89 2k87 n LEU 80 N -0.33 0.00 -0.33 2.77 0.00 -0.75 -1.26 117.00 117.10 2k87 n LEU 80 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.84 2k87 n LEU 80 Cb 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.96 2k87 n LEU 80 CO 0.19 -0.31 0.44 -0.11 0.00 0.00 0.00 177.39 177.61 2k87 n LEU 81 N 0.00 -0.83 0.00 -1.96 7.94 -1.26 -3.94 117.00 116.94 2k87 n LEU 81 Ca 0.00 1.54 0.00 0.00 -1.11 0.00 0.00 56.01 56.44 2k87 n LEU 81 Cb 0.00 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 43.70 2k87 n LEU 81 CO 0.00 -1.21 0.03 0.00 -1.11 0.00 0.00 177.39 175.10 2k87 n HIS 82 N -4.83 0.00 -3.29 1.96 1.44 -1.26 -5.06 115.22 104.18 2k87 n HIS 82 Ca 0.02 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.46 2k87 n HIS 82 Cb 0.20 0.02 -0.02 0.00 0.12 0.00 0.00 29.99 30.31 2k87 n HIS 82 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2k87 s LYS 83 N 0.00 3.57 0.78 -1.40 1.02 -1.25 -5.11 119.74 117.35 2k87 s LYS 83 Ca 0.00 -0.11 -0.11 0.00 0.02 0.00 0.00 55.97 55.77 2k87 s LYS 83 Cb 0.00 -2.63 0.06 0.00 -0.52 0.00 0.00 37.83 34.74 2k87 s LYS 83 CO 0.00 0.15 1.09 -1.25 -0.92 0.00 0.00 175.35 174.42 2k87 s PRO 84 N -3.95 2.22 0.10 -1.68 0.04 -1.26 -1.81 135.00 128.66 2k87 s PRO 84 Ca 0.43 0.74 0.03 0.00 0.04 0.00 0.00 61.00 62.23 2k87 s PRO 84 Cb -0.10 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2k87 s PRO 84 CO 0.34 -1.55 -0.08 0.96 0.04 0.00 0.00 177.00 176.71 2k87 s ILE 85 N -3.11 0.78 0.40 0.56 -5.25 -1.26 -2.79 121.20 110.54 2k87 s ILE 85 Ca 0.60 -1.76 0.05 0.00 -0.99 0.00 0.00 60.65 58.56 2k87 s ILE 85 Cb -0.15 -1.47 -0.07 0.00 2.95 0.00 0.00 42.46 43.73 2k87 s ILE 85 CO 0.55 -0.72 0.03 0.68 -1.79 0.00 0.00 174.94 173.69 2k87 s VAL 86 N -2.99 1.64 -0.12 8.37 -7.23 -0.13 -4.80 120.40 115.13 2k87 s VAL 86 Ca 0.08 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.22 2k87 s VAL 86 Cb 0.01 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 2k87 s VAL 86 CO -0.02 0.00 -0.00 0.26 -0.31 0.00 0.00 175.10 175.02 2k87 s TRP 87 N -2.90 3.13 0.22 2.82 0.23 -1.26 -0.67 118.94 120.50 2k87 s TRP 87 Ca 0.32 0.03 0.10 0.00 -2.03 0.00 0.00 56.10 54.51 2k87 s TRP 87 Cb 0.08 -1.88 -0.05 0.00 0.03 0.00 0.00 33.47 31.66 2k87 s TRP 87 CO 0.16 0.27 -0.18 -3.38 0.96 0.00 0.00 176.95 174.78 2k87 s HIS 88 N -0.34 1.99 -0.09 -1.98 -3.43 -0.62 -4.88 115.29 105.94 2k87 s HIS 88 Ca 0.07 -0.44 -0.00 0.00 -0.80 0.00 0.00 55.06 53.88 2k87 s HIS 88 Cb -0.12 -0.93 0.02 0.00 -1.43 0.00 0.00 32.58 30.13 2k87 s HIS 88 CO 0.02 0.48 -0.05 0.42 -2.00 0.00 0.00 174.74 173.61 2k87 s ILE 89 N -2.43 0.80 -1.26 -5.38 1.01 -0.85 -1.78 121.20 111.31 2k87 s ILE 89 Ca 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 2k87 s ILE 89 Cb -0.04 -0.86 0.03 0.00 0.01 0.00 0.00 42.46 41.60 2k87 s ILE 89 CO 0.10 0.32 0.28 -0.46 0.00 0.00 0.00 174.94 175.19 2k87 n ASN 90 N 4.87 -4.31 -0.92 3.58 2.04 -1.26 -0.20 115.26 119.06 2k87 n ASN 90 Ca -0.12 -0.11 -0.12 0.00 -0.44 0.00 0.00 54.58 53.78 2k87 n ASN 90 Cb 0.50 -3.58 -0.05 0.00 -2.53 0.00 0.00 39.78 34.12 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 -3.36 -1.09 -4.42 -3.83 6.02 -1.26 -5.01 117.38 104.42 2k87 n GLN 91 Ca -0.10 0.90 -0.25 0.00 -0.01 0.00 0.00 57.00 57.54 2k87 n GLN 91 Cb 0.59 -5.01 -0.09 0.00 1.02 0.00 0.00 30.24 26.75 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 -2.32 3.15 -0.47 -1.58 0.00 0.72 -4.49 121.76 116.76 2k87 s ALA 92 Ca 0.00 -2.05 0.02 0.00 0.00 0.00 0.00 51.96 49.93 2k87 s ALA 92 Cb 0.00 -0.21 0.12 0.00 0.00 0.00 0.00 23.12 23.03 2k87 s ALA 92 CO 0.00 0.03 0.23 -0.08 0.00 0.00 0.00 175.76 175.94 2k87 s THR 93 N -2.57 2.79 0.91 0.00 -1.32 -1.26 -2.00 115.64 112.19 2k87 s THR 93 Ca 0.35 -2.82 -0.12 0.00 -1.21 0.00 0.00 61.69 57.89 2k87 s THR 93 Cb 0.02 -2.94 0.13 0.00 -1.51 0.00 0.00 72.50 68.21 2k87 s THR 93 CO 0.19 -0.74 1.12 0.42 -2.21 0.00 0.00 174.62 173.39 2k87 s THR 94 N 0.27 2.20 -1.30 5.08 -4.23 -1.26 -4.82 115.64 111.58 2k87 s THR 94 Ca 0.14 0.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.76 2k87 s THR 94 Cb -0.23 -2.77 0.06 0.00 1.34 0.00 0.00 72.50 70.90 2k87 s THR 94 CO -0.03 -0.09 1.00 0.29 -0.54 0.00 0.00 174.62 175.25 2k87 n LYS 95 N -3.78 0.04 0.10 3.99 5.02 -1.26 -1.52 118.16 120.75 2k87 n LYS 95 Ca 0.06 0.30 -0.24 0.00 -2.02 0.00 0.00 58.31 56.42 2k87 n LYS 95 Cb 0.58 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.94 2k87 n LYS 95 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2k87 h THR 96 N 0.00 1.14 -0.00 -0.18 2.02 -2.02 -3.37 112.91 110.50 2k87 h THR 96 Ca 0.00 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.60 2k87 h THR 96 Cb 0.04 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2k87 h THR 96 CO 0.00 0.82 -0.36 0.35 0.37 0.00 0.00 175.52 176.70 2k87 n THR 97 N -3.72 0.00 0.36 3.16 -2.24 -0.63 -4.34 114.28 106.88 2k87 n THR 97 Ca -0.21 -0.01 -0.17 0.00 -2.27 0.00 0.00 64.05 61.40 2k87 n THR 97 Cb 1.06 0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 69.27 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 0.08 -0.85 -0.28 4.78 3.57 -1.43 -0.99 116.94 121.81 2k87 h PHE 98 Ca 0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2k87 h PHE 98 Cb 0.49 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 2k87 h PHE 98 CO 0.00 -0.50 0.14 0.87 -2.23 0.00 0.00 178.31 176.59 2k87 h LYS 99 N -1.05 0.41 -0.14 1.11 1.57 -1.79 -1.94 116.57 114.74 2k87 h LYS 99 Ca -0.09 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 2k87 h LYS 99 Cb 0.74 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2k87 h LYS 99 CO 0.15 0.38 -0.15 -1.00 -0.57 0.00 0.00 179.45 178.27 2k87 h PRO 100 N 0.33 0.22 -0.08 3.15 0.13 -1.79 -2.79 132.00 131.17 2k87 h PRO 100 Ca 0.10 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 2k87 h PRO 100 Cb 0.11 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 2k87 h PRO 100 CO -0.01 0.38 -0.03 -0.91 -0.23 0.00 0.00 178.00 177.20 2k87 h ASN 101 N 0.21 0.10 0.28 1.44 2.35 -0.39 -1.67 115.58 117.90 2k87 h ASN 101 Ca 0.04 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 2k87 h ASN 101 Cb 0.40 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2k87 h ASN 101 CO 0.02 0.16 -0.32 0.71 -1.65 0.00 0.00 177.43 176.35 2k87 h THR 102 N 0.12 1.25 0.00 2.81 1.35 -1.18 0.01 112.91 117.26 2k87 h THR 102 Ca 0.03 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 2k87 h THR 102 Cb 0.14 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2k87 h THR 102 CO 0.01 0.34 0.00 0.79 -0.25 0.00 0.00 175.52 176.41 2k87 n TRP 103 N -4.13 0.00 -0.13 4.73 7.02 -0.63 -0.70 117.44 123.59 2k87 n TRP 103 Ca -0.02 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.20 2k87 n TRP 103 Cb 0.38 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.17 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 -0.75 0.39 -0.88 0.00 3.38 -0.54 0.14 115.31 117.05 2k87 h LEU 105 Ca -0.65 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2k87 h LEU 105 Cb 1.65 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2k87 h LEU 105 CO -0.34 0.16 0.00 0.54 0.09 0.00 0.00 178.44 178.89 2k87 n ARG 106 N -4.94 0.15 0.07 1.13 1.74 0.12 -1.18 116.66 113.74 2k87 n ARG 106 Ca 0.15 0.50 0.03 0.00 -0.77 0.00 0.00 57.85 57.75 2k87 n ARG 106 Cb 0.41 -1.85 -0.04 0.00 -1.02 0.00 0.00 32.46 29.95 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 0.00 0.00-10.18 0.00 -0.00 -1.06 -3.47 115.31 100.60 2k87 h LEU 108 Ca -0.10 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.29 2k87 h LEU 108 Cb 1.42 0.00 0.21 0.00 -0.00 0.00 0.00 40.66 42.29 2k87 h LEU 108 CO 0.04 0.13 0.07 0.79 -0.00 0.00 0.00 178.44 179.47 2k87 n TRP 109 N -3.16 -0.05 -4.37 1.13 7.02 -1.16 -4.91 117.44 111.94 2k87 n TRP 109 Ca 0.03 0.19 -0.24 0.00 -1.02 0.00 0.00 57.50 56.45 2k87 n TRP 109 Cb 0.52 -1.87 -0.13 0.00 -2.42 0.00 0.00 31.31 27.41 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 -2.51 2.49 -0.59 -0.99 0.01 -0.40 -4.68 113.70 107.04 2k87 s SER 110 Ca 0.67 -0.64 -0.27 0.00 1.31 0.00 0.00 55.95 57.02 2k87 s SER 110 Cb -0.24 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 65.84 2k87 s SER 110 CO 0.61 0.08 1.67 0.42 0.41 0.00 0.00 173.24 176.43 2k87 s THR 111 N -1.07 3.52 -0.35 1.44 -4.23 -1.26 -0.57 115.64 113.12 2k87 s THR 111 Ca 0.06 0.37 0.02 0.00 -1.18 0.00 0.00 61.69 60.96 2k87 s THR 111 Cb -0.10 -4.16 0.15 0.00 1.34 0.00 0.00 72.50 69.73 2k87 s THR 111 CO 0.04 -1.05 0.35 -0.54 -0.54 0.00 0.00 174.62 172.87 2k87 s LYS 112 N 6.37 0.55 -0.27 3.99 -0.14 -1.23 -4.97 119.74 124.03 2k87 s LYS 112 Ca 0.61 -0.68 -0.29 0.00 -1.36 0.00 0.00 55.97 54.25 2k87 s LYS 112 Cb -0.13 -0.72 -0.01 0.00 -1.68 0.00 0.00 37.83 35.29 2k87 s LYS 112 CO 0.22 -1.15 1.46 -1.25 -0.76 0.00 0.00 175.35 173.87 2k87 s PRO 113 N 1.68 3.83 -0.28 -1.68 0.04 -1.26 -4.85 135.00 132.47 2k87 s PRO 113 Ca 0.15 1.41 0.13 0.00 0.04 0.00 0.00 61.00 62.73 2k87 s PRO 113 Cb -0.15 -3.96 0.48 0.00 0.04 0.00 0.00 34.50 30.90 2k87 s PRO 113 CO -0.11 -1.24 1.15 1.55 0.04 0.00 0.00 177.00 178.39 2k87 n VAL 114 N 6.37 2.01 0.36 -0.36 3.14 -1.26 -4.72 118.33 123.87 2k87 n VAL 114 Ca 0.17 -3.72 0.14 0.00 -2.96 0.00 0.00 64.34 57.96 2k87 n VAL 114 Cb 0.46 -0.17 0.56 0.00 -1.06 0.00 0.00 33.84 33.63 2k87 n VAL 114 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 2k87 h ASP 115 N 2.37 0.00 0.00 6.55 2.03 -2.05 -3.56 116.42 121.76 2k87 h ASP 115 Ca 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 2k87 h ASP 115 Cb 1.41 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.91 2k87 h ASP 115 CO 0.54 0.00 0.00 0.41 -1.03 0.00 0.00 179.24 179.16