#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 -0.22 0.45 2.03 0.18 -1.26 -5.04 117.16 113.30 2k87 n TYR 2 Ca 0.00 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.90 2k87 n TYR 2 Cb 0.00 0.00 0.20 0.00 -0.38 0.00 0.00 39.34 39.16 2k87 n TYR 2 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 2k87 n THR 3 N 0.00 0.42 -2.21 -3.48 -1.04 -1.26 -4.95 114.28 101.75 2k87 n THR 3 Ca 0.00 -0.70 -0.34 0.00 -2.04 0.00 0.00 64.05 60.97 2k87 n THR 3 Cb 0.00 1.05 0.00 0.00 -1.82 0.00 0.00 70.33 69.56 2k87 n THR 3 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k87 s GLU 4 N -1.58 3.36 0.74 -2.82 8.01 -1.26 -5.03 118.70 120.11 2k87 s GLU 4 Ca 0.37 1.47 -0.11 0.00 0.01 0.00 0.00 54.97 56.71 2k87 s GLU 4 Cb 0.22 -2.02 0.04 0.00 -4.31 0.00 0.00 34.13 28.06 2k87 s GLU 4 CO 0.31 -0.82 1.08 -0.65 0.01 0.00 0.00 175.26 175.20 2k87 s GLN 5 N -3.51 2.53 0.69 1.61 -1.52 -1.26 -5.06 119.66 113.15 2k87 s GLN 5 Ca 0.69 1.10 -0.11 0.00 -1.95 0.00 0.00 55.36 55.10 2k87 s GLN 5 Cb -0.21 -1.93 0.01 0.00 -0.22 0.00 0.00 33.01 30.66 2k87 s GLN 5 CO 0.29 -1.42 1.06 -1.25 -0.25 0.00 0.00 175.29 173.72 2k87 s PRO 6 N -4.90 2.95 -1.11 2.91 0.04 -1.26 -4.91 135.00 128.71 2k87 s PRO 6 Ca 0.60 0.96 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 2k87 s PRO 6 Cb -0.16 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 2k87 s PRO 6 CO 0.55 -1.09 1.93 -0.89 0.04 0.00 0.00 177.00 177.54 2k87 n ILE 7 N -3.10 2.46 -3.16 0.56 5.41 -1.26 -4.06 119.36 116.20 2k87 n ILE 7 Ca 0.08 -2.38 -0.16 0.00 1.00 0.00 0.00 62.75 61.28 2k87 n ILE 7 Cb 0.53 -2.31 -0.02 0.00 -0.71 0.00 0.00 39.64 37.13 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 9.98 -1.90 -4.70 4.38 2.03 -1.26 -4.80 116.55 120.29 2k87 n ASP 8 Ca 0.48 -0.12 -0.38 0.00 0.52 0.00 0.00 54.79 55.29 2k87 n ASP 8 Cb 0.43 -1.69 -0.06 0.00 -0.72 0.00 0.00 41.12 39.09 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 -5.87 4.22 -0.07 -2.67 0.20 -1.26 -3.97 118.68 109.26 2k87 s LEU 9 Ca 0.28 0.73 -0.03 0.00 0.69 0.00 0.00 54.13 55.80 2k87 s LEU 9 Cb -0.16 -2.67 0.04 0.00 -0.43 0.00 0.00 46.19 42.97 2k87 s LEU 9 CO 0.35 -0.06 0.09 0.68 -0.29 0.00 0.00 176.35 177.12 2k87 s VAL 10 N 1.01 -0.15 0.23 1.68 -7.23 -0.98 -5.01 120.40 109.95 2k87 s VAL 10 Ca 0.24 0.33 -0.31 0.00 -1.81 0.00 0.00 61.98 60.44 2k87 s VAL 10 Cb -0.15 -0.25 -0.11 0.00 0.56 0.00 0.00 36.38 36.44 2k87 s VAL 10 CO 0.10 0.11 1.55 -2.16 -0.31 0.00 0.00 175.10 174.39 2k87 s PRO 11 N 2.20 4.20 0.00 4.82 0.05 -1.26 -0.89 135.00 144.12 2k87 s PRO 11 Ca 0.04 2.42 0.00 0.00 0.05 0.00 0.00 61.00 63.52 2k87 s PRO 11 Cb -0.13 -3.10 0.00 0.00 0.05 0.00 0.00 34.50 31.33 2k87 s PRO 11 CO -0.05 -0.57 0.00 -2.37 0.05 0.00 0.00 177.00 174.06 2k87 n THR 12 N 3.01 0.00 -3.87 1.26 5.66 -0.86 -4.85 114.28 114.64 2k87 n THR 12 Ca 0.10 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.00 2k87 n THR 12 Cb 0.38 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.08 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 -0.64 0.68 0.31 1.09 -2.07 -1.26 -4.01 119.66 113.76 2k87 s GLN 13 Ca 0.00 -0.68 -0.29 0.00 -1.82 0.00 0.00 55.36 52.57 2k87 s GLN 13 Cb 0.00 0.28 -0.10 0.00 -1.09 0.00 0.00 33.01 32.10 2k87 s GLN 13 CO 0.00 -0.19 1.35 -1.25 -1.32 0.00 0.00 175.29 173.88 2k87 s PRO 14 N -2.67 4.31 0.73 9.60 0.04 -1.26 -4.88 135.00 140.86 2k87 s PRO 14 Ca -0.04 2.26 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 2k87 s PRO 14 Cb -0.01 -3.08 0.03 0.00 0.04 0.00 0.00 34.50 31.49 2k87 s PRO 14 CO -0.05 -0.28 1.08 -0.48 0.04 0.00 0.00 177.00 177.32 2k87 s LEU 15 N -1.41 3.13 1.06 -3.56 2.34 -1.26 -4.99 118.68 113.98 2k87 s LEU 15 Ca 0.52 1.78 -0.15 0.00 0.06 0.00 0.00 54.13 56.33 2k87 s LEU 15 Cb -0.41 -4.52 0.22 0.00 -0.56 0.00 0.00 46.19 40.93 2k87 s LEU 15 CO 0.51 -1.76 1.13 -2.16 -1.06 0.00 0.00 176.35 173.01 2k87 s PRO 16 N -4.81 -0.07 0.00 1.48 0.04 -1.26 -3.99 135.00 126.39 2k87 s PRO 16 Ca 0.61 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.78 2k87 s PRO 16 Cb -0.16 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2k87 s PRO 16 CO 0.53 -2.98 0.00 0.09 0.04 0.00 0.00 177.00 174.68 2k87 n ASN 17 N -4.28 0.00 -4.76 6.66 3.02 -1.26 -4.95 115.26 109.69 2k87 n ASN 17 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 2k87 n ASN 17 Cb 0.59 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 2k87 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k87 s ALA 18 N -0.34 3.56 0.09 5.41 0.00 -1.26 -4.01 121.76 125.23 2k87 s ALA 18 Ca 0.00 1.36 -0.14 0.00 0.00 0.00 0.00 51.96 53.19 2k87 s ALA 18 Cb 0.00 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.60 2k87 s ALA 18 CO 0.00 -0.78 0.32 -1.12 0.00 0.00 0.00 175.76 174.19 2k87 s SER 19 N -0.11 -0.12 1.04 0.00 0.01 0.59 -4.87 113.70 110.25 2k87 s SER 19 Ca 0.54 -0.37 -0.16 0.00 1.31 0.00 0.00 55.95 57.26 2k87 s SER 19 Cb -0.42 0.41 0.22 0.00 0.21 0.00 0.00 66.02 66.44 2k87 s SER 19 CO 0.52 -0.76 1.21 0.12 0.41 0.00 0.00 173.24 174.74 2k87 s PHE 20 N -3.49 1.37 0.34 2.43 5.36 -1.26 -0.55 117.98 122.18 2k87 s PHE 20 Ca 0.01 0.48 -0.14 0.00 -0.96 0.00 0.00 56.93 56.32 2k87 s PHE 20 Cb 0.02 -3.74 0.03 0.00 -0.34 0.00 0.00 43.02 38.99 2k87 s PHE 20 CO -0.09 -3.03 0.69 0.34 -1.46 0.00 0.00 175.22 171.67 2k87 s ASP 21 N -4.38 0.09 0.00 6.13 2.15 -1.26 -4.76 116.67 114.64 2k87 s ASP 21 Ca 0.71 -1.07 0.00 0.00 0.43 0.00 0.00 52.55 52.62 2k87 s ASP 21 Cb -0.08 0.77 0.00 0.00 -0.30 0.00 0.00 42.92 43.31 2k87 s ASP 21 CO 0.54 -1.51 0.32 0.59 -0.17 0.00 0.00 175.17 174.94 2k87 n ASN 22 N -1.12 0.71 -4.74 -0.34 5.03 -1.26 -4.81 115.26 108.72 2k87 n ASN 22 Ca -0.05 -1.13 -0.41 0.00 0.87 0.00 0.00 54.58 53.86 2k87 n ASN 22 Cb 0.60 -0.28 -0.04 0.00 -1.02 0.00 0.00 39.78 39.04 2k87 n ASN 22 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2k87 s PHE 23 N -0.82 3.52 0.34 3.10 -0.12 -1.26 -0.87 117.98 121.86 2k87 s PHE 23 Ca 0.00 1.54 0.03 0.00 -0.05 0.00 0.00 56.93 58.45 2k87 s PHE 23 Cb 0.00 -3.34 -0.02 0.00 -0.63 0.00 0.00 43.02 39.02 2k87 s PHE 23 CO 0.00 -0.85 0.51 0.21 -0.05 0.00 0.00 175.22 175.04 2k87 s LYS 24 N -0.50 3.33 0.11 1.99 2.20 0.06 -4.83 119.74 122.11 2k87 s LYS 24 Ca 0.50 -0.59 0.09 0.00 -0.36 0.00 0.00 55.97 55.60 2k87 s LYS 24 Cb -0.31 -2.73 -0.04 0.00 -1.51 0.00 0.00 37.83 33.24 2k87 s LYS 24 CO 0.37 0.13 -0.21 -0.48 -0.36 0.00 0.00 175.35 174.79 2k87 s LEU 25 N -4.25 2.32 0.14 5.43 0.05 -1.26 -0.82 118.68 120.29 2k87 s LEU 25 Ca 0.41 -0.72 -0.02 0.00 0.05 0.00 0.00 54.13 53.85 2k87 s LEU 25 Cb -0.09 -0.93 -0.03 0.00 -2.05 0.00 0.00 46.19 43.08 2k87 s LEU 25 CO 0.34 0.06 0.10 0.42 -0.55 0.00 0.00 176.35 176.72 2k87 s THR 26 N -1.25 0.09 0.22 5.48 -4.23 0.19 -4.78 115.64 111.36 2k87 s THR 26 Ca 0.09 -1.82 -0.21 0.00 -1.18 0.00 0.00 61.69 58.57 2k87 s THR 26 Cb -0.09 -2.01 0.07 0.00 1.34 0.00 0.00 72.50 71.80 2k87 s THR 26 CO 0.05 -0.43 0.98 0.00 -0.54 0.00 0.00 174.62 174.68 2k87 h SER 28 N 2.00 -0.65 -3.23 0.00 0.02 -2.01 -3.39 113.55 106.29 2k87 h SER 28 Ca -0.28 0.14 -0.61 0.00 -0.84 0.00 0.00 61.79 60.20 2k87 h SER 28 Cb 1.23 0.34 -0.12 0.00 0.14 0.00 0.00 62.40 63.99 2k87 h SER 28 CO 0.36 -0.23 0.57 0.21 -1.14 0.00 0.00 176.83 176.60 2k87 s ASN 29 N -5.12 6.35 0.08 3.07 3.84 -1.26 -4.93 114.94 116.96 2k87 s ASN 29 Ca -0.14 -0.32 -0.32 0.00 0.21 0.00 0.00 52.86 52.29 2k87 s ASN 29 Cb 0.14 -2.44 -0.17 0.00 -0.55 0.00 0.00 41.25 38.23 2k87 s ASN 29 CO 0.70 -1.22 1.63 0.71 -2.79 0.00 0.00 177.10 176.13 2k87 h THR 30 N 6.03 0.34 -0.36 -5.21 1.35 -1.94 -2.69 112.91 110.43 2k87 h THR 30 Ca -0.26 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.62 2k87 h THR 30 Cb 1.07 0.34 -0.02 0.00 -1.73 0.00 0.00 68.15 67.82 2k87 h THR 30 CO 1.08 0.00 0.24 0.50 -0.25 0.00 0.00 175.52 177.09 2k87 h LYS 31 N -0.83 0.40 0.38 4.72 1.63 -1.94 0.25 116.57 121.18 2k87 h LYS 31 Ca -0.07 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 2k87 h LYS 31 Cb 0.66 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 2k87 h LYS 31 CO 0.09 0.27 -0.27 0.35 -3.45 0.00 0.00 179.45 176.43 2k87 h PHE 32 N 0.42 -0.73 -0.78 1.91 3.57 -1.78 0.32 116.94 119.87 2k87 h PHE 32 Ca 0.14 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.72 2k87 h PHE 32 Cb 0.05 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 2k87 h PHE 32 CO -0.00 -0.39 0.51 0.00 -2.23 0.00 0.00 178.31 176.20 2k87 h ALA 33 N -1.44 1.73 0.00 2.41 0.00 -1.05 -1.85 119.26 119.06 2k87 h ALA 33 Ca -0.05 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2k87 h ALA 33 Cb 0.51 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2k87 h ALA 33 CO 0.03 0.13 -0.96 0.22 0.00 0.00 0.00 179.25 178.66 2k87 h ASP 34 N 0.75 0.00 -0.27 0.00 3.58 -0.42 0.63 116.42 120.70 2k87 h ASP 34 Ca 0.35 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.61 2k87 h ASP 34 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2k87 h ASP 34 CO -0.13 0.64 -0.55 -0.78 -2.88 0.00 0.00 179.24 175.55 2k87 h ASP 35 N 0.00 0.96 -0.20 2.28 3.58 -0.69 -2.71 116.42 119.64 2k87 h ASP 35 Ca -0.08 -0.51 -0.05 0.00 0.42 0.00 0.00 57.03 56.81 2k87 h ASP 35 Cb 1.56 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.33 2k87 h ASP 35 CO 0.07 1.31 -0.06 -0.07 -2.88 0.00 0.00 179.24 177.61 2k87 h LEU 36 N 0.66 0.39 -1.32 2.28 3.38 -1.24 -2.67 115.31 116.79 2k87 h LEU 36 Ca 0.01 -0.38 0.11 0.00 0.09 0.00 0.00 57.88 57.71 2k87 h LEU 36 Cb 1.15 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 2k87 h LEU 36 CO 0.12 0.68 0.54 0.78 0.09 0.00 0.00 178.44 180.65 2k87 h ASN 37 N 0.10 0.67 -0.09 -0.43 2.35 -0.96 -2.14 115.58 115.09 2k87 h ASN 37 Ca 0.05 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2k87 h ASN 37 Cb 0.51 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2k87 h ASN 37 CO 0.02 0.39 0.04 1.56 -1.65 0.00 0.00 177.43 177.79 2k87 h GLN 38 N 0.74 0.09 -0.48 0.81 1.08 -1.15 -1.07 115.11 115.13 2k87 h GLN 38 Ca 0.39 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.53 2k87 h GLN 38 Cb 0.51 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 2k87 h GLN 38 CO -0.16 0.06 0.06 0.52 -0.95 0.00 0.00 178.83 178.37 2k87 h MET 39 N 0.10 0.76 -0.01 1.46 2.86 -1.12 -1.70 114.93 117.28 2k87 h MET 39 Ca 0.03 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2k87 h MET 39 Cb 0.00 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.56 2k87 h MET 39 CO -0.02 0.73 -0.15 -2.37 1.06 0.00 0.00 176.91 176.15 2k87 n THR 40 N -4.26 0.00 -2.00 2.22 5.66 -1.13 -4.95 114.28 109.81 2k87 n THR 40 Ca 0.03 -0.10 -0.01 0.00 -3.05 0.00 0.00 64.05 60.92 2k87 n THR 40 Cb 0.25 0.13 -0.00 0.00 -1.55 0.00 0.00 70.33 69.16 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 1.28 0.33 3.69 1.09 0.00 -0.64 -4.94 105.19 106.00 2k87 n GLY 41 Ca 0.14 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.98 2.11 -3.90 1.61 7.35 -0.45 -5.04 117.46 115.16 2k87 n PHE 42 Ca -0.01 0.53 -0.10 0.00 -0.76 0.00 0.00 57.45 57.11 2k87 n PHE 42 Cb 0.50 -2.38 -0.09 0.00 0.35 0.00 0.00 39.48 37.86 2k87 n PHE 42 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 2k87 s THR 43 N -1.15 0.12 0.64 -2.13 -1.32 -1.26 -4.90 115.64 105.64 2k87 s THR 43 Ca 0.58 -1.00 -0.10 0.00 -1.21 0.00 0.00 61.69 59.96 2k87 s THR 43 Cb -0.54 -0.86 -0.01 0.00 -1.51 0.00 0.00 72.50 69.58 2k87 s THR 43 CO 0.60 -0.55 1.02 -0.54 -2.21 0.00 0.00 174.62 172.94 2k87 s LYS 44 N -2.49 3.12 0.00 7.08 1.02 -1.26 -4.08 119.74 123.13 2k87 s LYS 44 Ca -0.06 0.43 -0.30 0.00 0.02 0.00 0.00 55.97 56.06 2k87 s LYS 44 Cb -0.02 -2.11 -0.05 0.00 -0.52 0.00 0.00 37.83 35.13 2k87 s LYS 44 CO -0.04 -0.79 1.28 -1.25 -0.92 0.00 0.00 175.35 173.63 2k87 s PRO 45 N -5.20 4.35 -0.20 -1.68 0.04 -1.26 -5.10 135.00 125.95 2k87 s PRO 45 Ca 0.56 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 2k87 s PRO 45 Cb -0.11 -3.49 -0.02 0.00 0.04 0.00 0.00 34.50 30.93 2k87 s PRO 45 CO 0.51 -0.44 1.37 0.00 0.04 0.00 0.00 177.00 178.48 2k87 s ALA 46 N 1.91 3.51 0.43 8.56 0.00 -1.26 -4.89 121.76 130.02 2k87 s ALA 46 Ca 0.60 0.41 0.16 0.00 0.00 0.00 0.00 51.96 53.12 2k87 s ALA 46 Cb -0.29 -3.72 1.02 0.00 0.00 0.00 0.00 23.12 20.14 2k87 s ALA 46 CO 0.26 -1.50 1.98 0.77 0.00 0.00 0.00 175.76 177.27 2k87 h SER 47 N 9.08 0.00 -5.45 0.00 0.02 -1.35 -3.44 113.55 112.42 2k87 h SER 47 Ca -0.29 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.48 2k87 h SER 47 Cb 1.12 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.52 2k87 h SER 47 CO 0.99 0.20 -0.54 0.00 -1.14 0.00 0.00 176.83 176.34 2k87 s ARG 48 N -4.53 1.12 -0.30 3.45 1.70 -1.25 -5.03 118.95 114.13 2k87 s ARG 48 Ca -0.04 -1.46 -0.00 0.00 -0.47 0.00 0.00 55.73 53.77 2k87 s ARG 48 Cb 0.15 0.29 0.09 0.00 -0.57 0.00 0.00 34.95 34.92 2k87 s ARG 48 CO 0.69 -0.37 0.07 -1.21 -1.08 0.00 0.00 175.30 173.40 2k87 s GLU 49 N -4.08 0.92 0.78 3.89 2.02 -1.26 -0.76 118.70 120.21 2k87 s GLU 49 Ca 0.29 -1.14 -0.12 0.00 0.02 0.00 0.00 54.97 54.02 2k87 s GLU 49 Cb 0.06 -2.25 0.06 0.00 0.10 0.00 0.00 34.13 32.10 2k87 s GLU 49 CO 0.06 -0.91 1.12 -0.51 0.02 0.00 0.00 175.26 175.04 2k87 s LEU 50 N 1.50 3.09 0.01 1.80 1.43 -0.00 -4.89 118.68 121.61 2k87 s LEU 50 Ca 0.08 2.01 0.08 0.00 -1.03 0.00 0.00 54.13 55.26 2k87 s LEU 50 Cb -0.18 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.48 2k87 s LEU 50 CO -0.19 -2.24 -0.23 -0.55 0.23 0.00 0.00 176.35 173.37 2k87 s SER 51 N -2.90 2.74 0.03 2.29 0.15 -1.26 -0.63 113.70 114.11 2k87 s SER 51 Ca 0.65 -0.47 0.07 0.00 0.70 0.00 0.00 55.95 56.91 2k87 s SER 51 Cb -0.21 -0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 63.79 2k87 s SER 51 CO 0.52 0.25 -0.21 -0.69 1.20 0.00 0.00 173.24 174.32 2k87 s VAL 52 N -0.64 2.57 0.04 4.45 1.01 0.71 -0.49 120.40 128.05 2k87 s VAL 52 Ca 0.09 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 60.90 2k87 s VAL 52 Cb -0.09 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2k87 s VAL 52 CO 0.00 0.38 -0.10 0.42 0.00 0.00 0.00 175.10 175.81 2k87 s THR 53 N -0.85 0.77 -0.07 3.92 -4.23 -1.05 -4.39 115.64 109.75 2k87 s THR 53 Ca 0.13 -0.92 -0.17 0.00 -1.18 0.00 0.00 61.69 59.56 2k87 s THR 53 Cb -0.10 -0.74 -0.05 0.00 1.34 0.00 0.00 72.50 72.94 2k87 s THR 53 CO 0.03 -0.14 0.45 -0.36 -0.54 0.00 0.00 174.62 174.06 2k87 s PHE 54 N -0.96 3.60 0.75 3.99 0.08 -1.26 -0.81 117.98 123.39 2k87 s PHE 54 Ca -0.03 0.93 -0.15 0.00 0.12 0.00 0.00 56.93 57.80 2k87 s PHE 54 Cb -0.08 -2.45 0.02 0.00 -0.57 0.00 0.00 43.02 39.94 2k87 s PHE 54 CO 0.01 0.36 0.93 0.34 -0.10 0.00 0.00 175.22 176.76 2k87 n PHE 55 N 2.90 0.48 -2.31 0.36 7.35 -0.06 -1.91 117.46 124.28 2k87 n PHE 55 Ca -0.10 0.38 -0.36 0.00 -0.76 0.00 0.00 57.45 56.61 2k87 n PHE 55 Cb 0.52 -2.05 -0.04 0.00 0.35 0.00 0.00 39.48 38.26 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 -3.44 3.01 -0.21 -7.13 0.04 -1.26 -4.95 135.00 121.06 2k87 s PRO 56 Ca 0.71 -0.34 -0.06 0.00 0.04 0.00 0.00 61.00 61.35 2k87 s PRO 56 Cb -0.33 -4.82 0.10 0.00 0.04 0.00 0.00 34.50 29.50 2k87 s PRO 56 CO 0.52 -2.63 0.43 0.34 0.04 0.00 0.00 177.00 175.70 2k87 s ASP 57 N 6.21 -0.24 -0.20 6.66 2.15 -0.80 -5.05 116.67 125.40 2k87 s ASP 57 Ca 0.55 0.88 0.16 0.00 0.43 0.00 0.00 52.55 54.57 2k87 s ASP 57 Cb -0.06 1.38 0.46 0.00 -0.30 0.00 0.00 42.92 44.39 2k87 s ASP 57 CO 0.04 -0.24 1.17 0.00 -0.17 0.00 0.00 175.17 175.97 2k87 n LEU 58 N 5.39 2.68 0.11 -1.34 -0.00 -1.26 -4.05 117.00 118.53 2k87 n LEU 58 Ca -0.08 -3.51 -0.03 0.00 -0.00 0.00 0.00 56.01 52.39 2k87 n LEU 58 Cb 0.50 -0.10 0.11 0.00 -0.00 0.00 0.00 43.42 43.92 2k87 n LEU 58 CO 0.01 1.32 0.42 0.78 -0.00 0.00 0.00 177.39 179.92 2k87 h ASN 59 N 1.75 0.07 -2.45 1.45 2.35 -1.96 -3.48 115.58 113.31 2k87 h ASN 59 Ca 0.02 -0.04 -0.29 0.00 -0.55 0.00 0.00 56.30 55.43 2k87 h ASN 59 Cb 1.42 -0.02 0.17 0.00 0.05 0.00 0.00 38.32 39.94 2k87 h ASN 59 CO 0.28 0.74 -0.20 0.61 -1.65 0.00 0.00 177.43 177.21 2k87 n GLY 60 N 0.46 -3.12 0.22 2.83 0.00 -1.26 -4.95 105.19 99.38 2k87 n GLY 60 Ca -0.01 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.61 2k87 n GLY 60 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k87 h ASP 61 N -3.14 0.90 -3.75 1.61 1.82 -1.15 -3.47 116.42 109.24 2k87 h ASP 61 Ca -0.33 -0.58 -0.43 0.00 -0.39 0.00 0.00 57.03 55.30 2k87 h ASP 61 Cb 1.03 -0.26 -0.17 0.00 0.68 0.00 0.00 39.33 40.61 2k87 h ASP 61 CO 0.20 1.32 -0.75 -0.69 -1.61 0.00 0.00 179.24 177.72 2k87 s VAL 62 N -3.94 1.50 0.21 2.25 1.01 -0.69 -4.76 120.40 115.98 2k87 s VAL 62 Ca -0.11 -1.91 0.10 0.00 0.00 0.00 0.00 61.98 60.05 2k87 s VAL 62 Cb 0.09 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 2k87 s VAL 62 CO 0.88 -0.48 -0.19 -0.69 0.00 0.00 0.00 175.10 174.63 2k87 s VAL 63 N -2.46 2.06 -0.11 2.92 1.01 -1.04 -2.52 120.40 120.26 2k87 s VAL 63 Ca 0.14 -2.15 0.01 0.00 0.00 0.00 0.00 61.98 59.99 2k87 s VAL 63 Cb -0.03 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.30 2k87 s VAL 63 CO 0.04 -0.38 -0.13 0.00 0.00 0.00 0.00 175.10 174.63 2k87 s ALA 64 N -2.36 1.58 0.19 5.51 0.00 0.01 -2.36 121.76 124.34 2k87 s ALA 64 Ca 0.22 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 2k87 s ALA 64 Cb -0.05 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 2k87 s ALA 64 CO 0.09 -0.13 0.40 0.42 0.00 0.00 0.00 175.76 176.55 2k87 s ILE 65 N 1.09 5.17 0.23 0.00 -1.09 0.14 -0.88 121.20 125.87 2k87 s ILE 65 Ca -0.05 -0.19 -0.30 0.00 -2.23 0.00 0.00 60.65 57.89 2k87 s ILE 65 Cb -0.14 -3.70 -0.09 0.00 -1.58 0.00 0.00 42.46 36.95 2k87 s ILE 65 CO -0.03 -0.12 1.27 -0.62 -1.23 0.00 0.00 174.94 174.22 2k87 s ASP 66 N -2.92 6.93 0.63 3.58 -1.08 -1.26 -1.46 116.67 121.09 2k87 s ASP 66 Ca 0.40 2.43 0.21 0.00 -0.52 0.00 0.00 52.55 55.07 2k87 s ASP 66 Cb -0.11 -2.62 0.95 0.00 -1.46 0.00 0.00 42.92 39.68 2k87 s ASP 66 CO 0.28 -0.47 1.48 0.22 0.52 0.00 0.00 175.17 177.20 2k87 h TYR 67 N 4.76 0.00 -0.01 -5.34 5.03 -1.61 -1.63 116.97 118.18 2k87 h TYR 67 Ca -0.46 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.85 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 0.60 0.00 0.00 0.00 -1.32 0.00 0.00 178.16 177.45 2k87 h ARG 68 N 0.00 0.00 -0.00 1.82 3.08 -1.91 0.86 114.38 118.23 2k87 h ARG 68 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2k87 h ARG 68 Cb 1.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.93 2k87 h ARG 68 CO -0.00 0.00 -0.01 0.72 -1.07 0.00 0.00 179.97 179.61 2k87 n HIS 69 N -4.45 0.00 -2.26 3.04 8.25 -0.61 -4.76 115.22 114.43 2k87 n HIS 69 Ca -0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.08 2k87 n HIS 69 Cb 0.09 -0.13 -0.04 0.00 1.12 0.00 0.00 29.99 31.04 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 -2.27 2.04 0.29 4.41 5.04 0.29 -4.97 117.35 122.18 2k87 s TYR 70 Ca 0.38 0.16 0.07 0.00 -2.44 0.00 0.00 57.07 55.24 2k87 s TYR 70 Cb 0.21 -4.32 -0.03 0.00 0.35 0.00 0.00 41.96 38.17 2k87 s TYR 70 CO 0.41 -1.97 0.31 -1.12 -1.34 0.00 0.00 175.55 171.84 2k87 s SER 71 N 6.56 5.68 0.16 4.32 0.01 -1.26 -5.02 113.70 124.15 2k87 s SER 71 Ca 0.58 -0.26 0.14 0.00 1.31 0.00 0.00 55.95 57.72 2k87 s SER 71 Cb -0.06 -1.32 0.69 0.00 0.21 0.00 0.00 66.02 65.54 2k87 s SER 71 CO 0.04 -0.22 1.44 0.00 0.41 0.00 0.00 173.24 174.91 2k87 n ALA 72 N -1.37 1.26 -0.19 1.44 0.00 -1.26 -1.18 120.51 119.22 2k87 n ALA 72 Ca -0.05 0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.64 2k87 n ALA 72 Cb 0.58 -1.22 0.53 0.00 0.00 0.00 0.00 19.45 19.34 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 0.36 -0.69 0.00 0.02 -1.97 -2.70 113.55 108.57 2k87 h SER 73 Ca 0.00 0.03 -0.34 0.00 -0.84 0.00 0.00 61.79 60.64 2k87 h SER 73 Cb 0.12 -0.04 -0.20 0.00 0.14 0.00 0.00 62.40 62.41 2k87 h SER 73 CO 0.00 0.17 0.30 0.49 -1.14 0.00 0.00 176.83 176.65 2k87 n PHE 74 N -4.47 2.14 -0.20 3.45 3.72 -0.32 -4.73 117.46 117.04 2k87 n PHE 74 Ca 0.16 -1.67 0.07 0.00 -0.05 0.00 0.00 57.45 55.97 2k87 n PHE 74 Cb 0.62 -0.72 0.35 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 1.16 0.74 -0.37 -1.08 1.63 -1.62 -2.37 116.57 114.67 2k87 h LYS 75 Ca 0.42 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 2k87 h LYS 75 Cb 2.29 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.75 2k87 h LYS 75 CO 0.75 0.49 0.00 1.63 -3.45 0.00 0.00 179.45 178.87 2k87 n LYS 76 N -4.49 2.87 0.00 1.90 5.02 -1.26 -4.99 118.16 117.21 2k87 n LYS 76 Ca 0.12 -2.10 0.00 0.00 -2.02 0.00 0.00 58.31 54.30 2k87 n LYS 76 Cb 0.26 -1.30 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 0.55 2.94 3.55 0.72 0.00 -0.89 -4.67 105.19 107.39 2k87 n GLY 77 Ca 0.13 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.15 -0.29 0.32 4.61 0.00 -1.26 -2.02 121.76 120.97 2k87 s ALA 78 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2k87 s ALA 78 Cb 0.00 1.02 -0.02 0.00 0.00 0.00 0.00 23.12 24.12 2k87 s ALA 78 CO 0.00 -0.82 0.35 -1.59 0.00 0.00 0.00 175.76 173.70 2k87 s LYS 79 N -3.99 1.77 0.00 0.00 -2.85 -0.07 -4.00 119.74 110.60 2k87 s LYS 79 Ca 0.20 -1.88 0.00 0.00 -1.00 0.00 0.00 55.97 53.30 2k87 s LYS 79 Cb -0.00 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 2k87 s LYS 79 CO 0.06 -0.69 0.00 -0.11 0.10 0.00 0.00 175.35 174.72 2k87 n LEU 80 N -0.57 0.00 0.00 2.77 0.00 0.34 -2.32 117.00 117.22 2k87 n LEU 80 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.05 2k87 n LEU 80 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.04 2k87 n LEU 80 CO 0.31 -0.12 0.11 -0.11 0.00 0.00 0.00 177.39 177.58 2k87 n LEU 81 N 0.00 0.00 -0.04 -1.96 0.00 -1.25 -3.52 117.00 110.23 2k87 n LEU 81 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 56.01 56.23 2k87 n LEU 81 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 43.42 43.32 2k87 n LEU 81 CO 0.00 -0.10 0.28 0.00 0.00 0.00 0.00 177.39 177.57 2k87 n HIS 82 N -1.90 0.00 -4.28 1.96 1.44 -1.26 -5.10 115.22 106.07 2k87 n HIS 82 Ca 0.00 -0.06 -0.18 0.00 -2.01 0.00 0.00 57.72 55.46 2k87 n HIS 82 Cb 0.00 -0.01 -0.11 0.00 0.12 0.00 0.00 29.99 29.99 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 -0.13 1.13 0.60 -1.40 1.02 -1.23 -5.16 119.74 114.57 2k87 s LYS 83 Ca 0.00 -1.35 -0.13 0.00 0.02 0.00 0.00 55.97 54.51 2k87 s LYS 83 Cb 0.00 -1.00 -0.05 0.00 -0.52 0.00 0.00 37.83 36.27 2k87 s LYS 83 CO 0.00 0.18 1.02 -1.25 -0.92 0.00 0.00 175.35 174.39 2k87 s PRO 84 N -2.97 3.62 0.11 -1.68 0.04 -1.26 -0.50 135.00 132.35 2k87 s PRO 84 Ca 0.13 0.86 0.03 0.00 0.04 0.00 0.00 61.00 62.07 2k87 s PRO 84 Cb -0.04 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2k87 s PRO 84 CO 0.04 -0.55 -0.09 0.96 0.04 0.00 0.00 177.00 177.40 2k87 s ILE 85 N -2.96 0.91 0.27 0.56 -5.25 -1.26 -2.50 121.20 110.98 2k87 s ILE 85 Ca 0.57 -1.85 0.03 0.00 -0.99 0.00 0.00 60.65 58.41 2k87 s ILE 85 Cb -0.11 -1.60 -0.01 0.00 2.95 0.00 0.00 42.46 43.69 2k87 s ILE 85 CO 0.46 -0.72 0.12 1.33 -1.79 0.00 0.00 174.94 174.34 2k87 n VAL 86 N 0.15 0.00 -4.23 8.37 0.24 -0.99 -4.75 118.33 117.12 2k87 n VAL 86 Ca -0.13 -1.66 -0.34 0.00 -2.04 0.00 0.00 64.34 60.16 2k87 n VAL 86 Cb 0.60 0.65 -0.13 0.00 -1.47 0.00 0.00 33.84 33.49 2k87 n VAL 86 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2k87 s TRP 87 N -2.69 2.97 0.26 6.34 0.52 -1.26 -0.69 118.94 124.40 2k87 s TRP 87 Ca 0.18 -0.60 0.09 0.00 0.02 0.00 0.00 56.10 55.78 2k87 s TRP 87 Cb 0.01 -2.02 -0.04 0.00 -1.15 0.00 0.00 33.47 30.27 2k87 s TRP 87 CO 0.12 -0.28 0.06 -3.38 0.02 0.00 0.00 176.95 173.49 2k87 s HIS 88 N 0.88 2.82 -0.06 -1.98 -3.43 -0.54 -4.85 115.29 108.14 2k87 s HIS 88 Ca -0.01 -0.19 -0.00 0.00 -0.80 0.00 0.00 55.06 54.06 2k87 s HIS 88 Cb -0.15 -1.26 0.03 0.00 -1.43 0.00 0.00 32.58 29.77 2k87 s HIS 88 CO 0.01 0.59 -0.02 0.42 -2.00 0.00 0.00 174.74 173.74 2k87 s ILE 89 N -2.27 0.44 -1.62 -5.38 1.01 -1.00 -1.54 121.20 110.83 2k87 s ILE 89 Ca 0.32 0.01 -0.15 0.00 0.00 0.00 0.00 60.65 60.83 2k87 s ILE 89 Cb -0.07 -0.53 0.12 0.00 0.01 0.00 0.00 42.46 41.99 2k87 s ILE 89 CO 0.21 0.24 0.80 -0.46 0.00 0.00 0.00 174.94 175.73 2k87 n ASN 90 N 4.58 -3.31 -1.59 3.58 6.94 -1.26 -0.25 115.26 123.94 2k87 n ASN 90 Ca -0.17 -0.94 -0.20 0.00 -0.02 0.00 0.00 54.58 53.25 2k87 n ASN 90 Cb 0.50 -3.13 -0.08 0.00 -2.36 0.00 0.00 39.78 34.72 2k87 n ASN 90 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k87 n GLN 91 N -4.47 -1.44 -4.51 -3.83 6.02 -1.26 -4.96 117.38 102.93 2k87 n GLN 91 Ca 0.01 1.15 -0.24 0.00 -0.01 0.00 0.00 57.00 57.90 2k87 n GLN 91 Cb 0.53 -5.52 -0.09 0.00 1.02 0.00 0.00 30.24 26.18 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 -2.67 2.78 0.41 -1.58 0.00 0.65 -4.61 121.76 116.74 2k87 s ALA 92 Ca 0.00 -1.51 0.07 0.00 0.00 0.00 0.00 51.96 50.52 2k87 s ALA 92 Cb 0.00 0.66 -0.06 0.00 0.00 0.00 0.00 23.12 23.72 2k87 s ALA 92 CO 0.00 -0.30 0.10 -0.08 0.00 0.00 0.00 175.76 175.48 2k87 s THR 93 N -3.23 2.18 -0.09 0.00 -1.32 -1.26 -2.39 115.64 109.55 2k87 s THR 93 Ca 0.28 -1.83 -0.32 0.00 -1.21 0.00 0.00 61.69 58.60 2k87 s THR 93 Cb 0.05 -2.99 0.13 0.00 -1.51 0.00 0.00 72.50 68.18 2k87 s THR 93 CO 0.14 -0.01 1.25 0.28 -2.21 0.00 0.00 174.62 174.08 2k87 s THR 94 N -2.64 0.00 0.32 5.08 -1.32 -1.26 -5.01 115.64 110.80 2k87 s THR 94 Ca 0.38 -0.14 0.09 0.00 -1.21 0.00 0.00 61.69 60.81 2k87 s THR 94 Cb 0.06 -1.59 0.31 0.00 -1.51 0.00 0.00 72.50 69.77 2k87 s THR 94 CO 0.21 0.00 1.74 0.50 -2.21 0.00 0.00 174.62 174.85 2k87 h LYS 95 N 2.00 0.59 -0.30 7.08 3.64 -2.01 0.16 116.57 127.74 2k87 h LYS 95 Ca -0.22 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.18 2k87 h LYS 95 Cb 1.19 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 2k87 h LYS 95 CO 0.26 0.39 -0.52 1.15 -2.27 0.00 0.00 179.45 178.47 2k87 h THR 96 N 0.61 0.04 0.00 1.00 2.02 -2.03 -3.05 112.91 111.50 2k87 h THR 96 Ca 0.63 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.81 2k87 h THR 96 Cb 1.16 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2k87 h THR 96 CO -0.46 0.00 -0.80 0.35 0.37 0.00 0.00 175.52 174.98 2k87 n THR 97 N -5.41 0.34 0.49 3.16 -2.24 -0.14 -4.38 114.28 106.10 2k87 n THR 97 Ca -0.04 -0.31 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 2k87 n THR 97 Cb 0.36 -0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 68.43 2k87 n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2k87 h PHE 98 N 0.00 -1.16 -0.10 4.78 3.57 -0.65 -0.26 116.94 123.12 2k87 h PHE 98 Ca 0.00 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.50 2k87 h PHE 98 Cb 0.78 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2k87 h PHE 98 CO 0.00 -0.72 -0.04 0.87 -2.23 0.00 0.00 178.31 176.18 2k87 h LYS 99 N -1.27 -0.03 0.00 1.11 1.57 -1.76 -1.12 116.57 115.07 2k87 h LYS 99 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2k87 h LYS 99 Cb 0.96 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2k87 h LYS 99 CO 0.21 -0.02 0.00 -1.00 -0.57 0.00 0.00 179.45 178.07 2k87 h PRO 100 N -0.03 0.00 -0.04 3.15 0.13 -1.76 -1.78 132.00 131.66 2k87 h PRO 100 Ca 0.06 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.05 2k87 h PRO 100 Cb 0.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.23 2k87 h PRO 100 CO -0.13 0.00 -0.60 -0.91 -0.23 0.00 0.00 178.00 176.13 2k87 h ASN 101 N 0.00 0.18 -0.79 1.44 2.35 0.22 -3.26 115.58 115.72 2k87 h ASN 101 Ca 0.00 -0.10 0.09 0.00 -0.55 0.00 0.00 56.30 55.74 2k87 h ASN 101 Cb 0.42 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.67 2k87 h ASN 101 CO 0.00 0.74 0.44 0.71 -1.65 0.00 0.00 177.43 177.67 2k87 h THR 102 N 0.11 0.91 -0.05 2.81 1.35 -0.76 -0.75 112.91 116.54 2k87 h THR 102 Ca -0.01 -0.26 -0.04 0.00 -0.55 0.00 0.00 66.41 65.56 2k87 h THR 102 Cb 1.09 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 2k87 h THR 102 CO 0.09 0.14 -0.15 -0.50 -0.25 0.00 0.00 175.52 174.85 2k87 h TRP 103 N 0.76 0.07 -0.19 4.73 4.06 -1.66 0.51 115.95 124.24 2k87 h TRP 103 Ca 0.38 -0.01 -0.22 0.00 2.06 0.00 0.00 58.89 61.10 2k87 h TRP 103 Cb 0.33 -0.02 0.01 0.00 -1.00 0.00 0.00 29.16 28.48 2k87 h TRP 103 CO -0.07 0.22 -0.72 0.00 -3.56 0.00 0.00 178.44 174.31 2k87 h LEU 105 N 0.57 0.88 -1.29 0.00 3.38 -0.10 -0.47 115.31 118.29 2k87 h LEU 105 Ca -0.04 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2k87 h LEU 105 Cb 1.35 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2k87 h LEU 105 CO 0.15 0.74 0.15 0.03 0.09 0.00 0.00 178.44 179.60 2k87 h ARG 106 N 0.98 0.64 0.00 1.13 3.08 -0.94 -2.45 114.38 116.81 2k87 h ARG 106 Ca 0.24 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 2k87 h ARG 106 Cb 0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2k87 h ARG 106 CO -0.03 0.55 -0.39 0.00 -1.07 0.00 0.00 179.97 179.03 2k87 h LEU 108 N 0.00 0.00-10.08 0.00 3.38 -0.82 -3.47 115.31 104.32 2k87 h LEU 108 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.41 2k87 h LEU 108 Cb 0.95 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.84 2k87 h LEU 108 CO 0.05 0.00 0.55 0.26 0.09 0.00 0.00 178.44 179.40 2k87 s TRP 109 N -3.26 2.20 0.18 1.13 0.51 -1.08 -5.01 118.94 113.61 2k87 s TRP 109 Ca 0.07 1.44 0.03 0.00 -2.12 0.00 0.00 56.10 55.51 2k87 s TRP 109 Cb 0.07 -3.72 -0.03 0.00 -0.81 0.00 0.00 33.47 28.97 2k87 s TRP 109 CO 0.62 -2.85 0.31 0.45 -0.51 0.00 0.00 176.95 174.98 2k87 s SER 110 N -1.21 6.34 -1.30 2.95 0.15 0.29 -4.55 113.70 116.37 2k87 s SER 110 Ca 0.77 0.16 -0.15 0.00 0.70 0.00 0.00 55.95 57.43 2k87 s SER 110 Cb -0.38 -1.90 0.11 0.00 -1.71 0.00 0.00 66.02 62.13 2k87 s SER 110 CO 0.43 0.01 1.76 0.35 1.20 0.00 0.00 173.24 176.99 2k87 n THR 111 N -0.78 4.01 -3.71 6.45 -2.24 -1.26 -0.30 114.28 116.45 2k87 n THR 111 Ca -0.07 -4.14 -0.29 0.00 -2.27 0.00 0.00 64.05 57.28 2k87 n THR 111 Cb 0.55 -2.43 -0.16 0.00 -2.10 0.00 0.00 70.33 66.19 2k87 n THR 111 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k87 s LYS 112 N 2.73 0.61 0.00 -0.78 2.47 -1.26 -4.98 119.74 118.53 2k87 s LYS 112 Ca 0.47 -0.66 -0.30 0.00 -1.56 0.00 0.00 55.97 53.92 2k87 s LYS 112 Cb 0.05 -1.93 -0.05 0.00 -1.46 0.00 0.00 37.83 34.43 2k87 s LYS 112 CO 0.02 -0.81 1.35 -1.25 0.16 0.00 0.00 175.35 174.81 2k87 s PRO 113 N 1.81 4.31 -0.41 4.03 0.04 -1.26 -4.43 135.00 139.09 2k87 s PRO 113 Ca 0.04 1.90 0.07 0.00 0.04 0.00 0.00 61.00 63.05 2k87 s PRO 113 Cb -0.17 -3.52 0.23 0.00 0.04 0.00 0.00 34.50 31.08 2k87 s PRO 113 CO -0.18 -0.51 0.54 0.28 0.04 0.00 0.00 177.00 177.17 2k87 n VAL 114 N 4.54 -0.69 -0.78 -0.36 0.31 -1.26 -5.01 118.33 115.08 2k87 n VAL 114 Ca 0.12 -3.46 -0.07 0.00 -0.01 0.00 0.00 64.34 60.93 2k87 n VAL 114 Cb 0.44 -1.34 -0.10 0.00 -0.91 0.00 0.00 33.84 31.93 2k87 n VAL 114 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2k87 n ASP 115 N 1.78 5.09 0.00 4.52 8.00 -1.26 -5.14 116.55 129.54 2k87 n ASP 115 Ca 0.21 -2.41 0.00 0.00 0.71 0.00 0.00 54.79 53.30 2k87 n ASP 115 Cb 0.53 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 2k87 n ASP 115 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22