#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 -0.33 -0.03 2.03 5.04 -1.26 -5.00 117.35 117.81 2k87 s TYR 2 Ca 0.00 -0.04 0.04 0.00 -2.44 0.00 0.00 57.07 54.63 2k87 s TYR 2 Cb 0.00 -0.45 0.06 0.00 0.35 0.00 0.00 41.96 41.93 2k87 s TYR 2 CO 0.00 -0.78 1.00 2.41 -1.34 0.00 0.00 175.55 176.84 2k87 n THR 3 N 5.31 1.10 -2.44 4.34 -1.04 -1.26 -5.08 114.28 115.21 2k87 n THR 3 Ca -0.04 -1.18 -0.02 0.00 -2.04 0.00 0.00 64.05 60.76 2k87 n THR 3 Cb 0.47 0.38 -0.02 0.00 -1.82 0.00 0.00 70.33 69.34 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 -0.66 -3.36 -1.34 -2.82 2.13 -1.26 -4.87 120.64 108.46 2k87 n GLU 4 Ca 0.03 2.68 0.00 0.00 0.66 0.00 0.00 57.16 60.53 2k87 n GLU 4 Cb 0.36 -4.48 0.00 0.00 0.27 0.00 0.00 31.44 27.59 2k87 n GLU 4 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2k87 n GLN 5 N 1.00 -3.66 -2.53 5.31 0.00 -1.26 -4.93 117.38 111.31 2k87 n GLN 5 Ca -0.18 2.66 -0.42 0.00 -0.00 0.00 0.00 57.00 59.05 2k87 n GLN 5 Cb 0.28 -2.88 -0.03 0.00 0.00 0.00 0.00 30.24 27.61 2k87 n GLN 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2k87 s PRO 6 N -2.48 4.36 -0.84 3.69 0.04 -1.26 -4.83 135.00 133.68 2k87 s PRO 6 Ca 0.00 1.58 -0.27 0.00 0.04 0.00 0.00 61.00 62.35 2k87 s PRO 6 Cb 0.00 -3.57 -0.19 0.00 0.04 0.00 0.00 34.50 30.78 2k87 s PRO 6 CO 0.00 -0.44 2.54 -0.89 0.04 0.00 0.00 177.00 178.26 2k87 n ILE 7 N 4.68 -0.03 -1.49 0.56 5.41 -1.26 -0.43 119.36 126.80 2k87 n ILE 7 Ca 0.11 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.54 2k87 n ILE 7 Cb 0.47 -1.20 0.00 0.00 -0.71 0.00 0.00 39.64 38.20 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 12.02 -0.47 -4.74 4.38 -0.08 -1.26 -4.78 116.55 121.61 2k87 n ASP 8 Ca 0.57 0.24 -0.39 0.00 -1.51 0.00 0.00 54.79 53.70 2k87 n ASP 8 Cb 0.21 -0.57 -0.05 0.00 2.34 0.00 0.00 41.12 43.05 2k87 n ASP 8 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2k87 s LEU 9 N -2.74 4.37 -0.15 -2.67 0.20 0.43 -3.39 118.68 114.72 2k87 s LEU 9 Ca 0.00 1.10 -0.10 0.00 0.69 0.00 0.00 54.13 55.82 2k87 s LEU 9 Cb 0.00 -2.91 0.05 0.00 -0.43 0.00 0.00 46.19 42.90 2k87 s LEU 9 CO 0.00 0.03 0.38 0.68 -0.29 0.00 0.00 176.35 177.15 2k87 s VAL 10 N 0.20 -0.02 0.47 1.68 -7.23 -0.30 -4.82 120.40 110.39 2k87 s VAL 10 Ca 0.32 0.07 -0.22 0.00 -1.81 0.00 0.00 61.98 60.33 2k87 s VAL 10 Cb -0.17 -0.55 -0.07 0.00 0.56 0.00 0.00 36.38 36.14 2k87 s VAL 10 CO 0.16 0.03 1.17 -2.16 -0.31 0.00 0.00 175.10 173.99 2k87 s PRO 11 N 0.97 3.69 0.00 4.82 0.04 -1.26 -0.90 135.00 142.35 2k87 s PRO 11 Ca -0.06 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2k87 s PRO 11 Cb -0.07 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.11 2k87 s PRO 11 CO -0.08 -0.61 0.00 -2.37 0.04 0.00 0.00 177.00 173.98 2k87 n THR 12 N -0.59 0.00 -4.06 1.26 5.66 -1.02 -4.83 114.28 110.69 2k87 n THR 12 Ca 0.08 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.95 2k87 n THR 12 Cb 0.48 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.14 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 -1.78 0.40 0.50 1.09 -2.07 -1.26 -4.15 119.66 112.39 2k87 s GLN 13 Ca 0.00 -0.46 -0.21 0.00 -1.82 0.00 0.00 55.36 52.87 2k87 s GLN 13 Cb 0.00 -0.24 -0.07 0.00 -1.09 0.00 0.00 33.01 31.61 2k87 s GLN 13 CO 0.00 0.05 1.12 -1.25 -1.32 0.00 0.00 175.29 173.89 2k87 s PRO 14 N -0.90 3.62 0.57 9.60 0.04 -1.26 -4.98 135.00 141.69 2k87 s PRO 14 Ca -0.06 1.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.39 2k87 s PRO 14 Cb -0.06 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2k87 s PRO 14 CO -0.00 -0.63 1.30 -0.51 0.04 0.00 0.00 177.00 177.20 2k87 s LEU 15 N -3.41 3.78 0.78 -3.56 1.43 -1.26 -5.00 118.68 111.43 2k87 s LEU 15 Ca 0.68 2.62 -0.11 0.00 -1.03 0.00 0.00 54.13 56.29 2k87 s LEU 15 Cb -0.24 -4.40 0.07 0.00 0.03 0.00 0.00 46.19 41.65 2k87 s LEU 15 CO 0.28 -1.60 1.11 -2.16 0.23 0.00 0.00 176.35 174.22 2k87 s PRO 16 N -3.05 2.08 -1.77 1.29 0.04 -1.26 -3.41 135.00 128.91 2k87 s PRO 16 Ca 0.74 1.32 -0.22 0.00 0.04 0.00 0.00 61.00 62.89 2k87 s PRO 16 Cb -0.37 -1.87 0.21 0.00 0.04 0.00 0.00 34.50 32.52 2k87 s PRO 16 CO 0.42 -1.80 0.62 0.27 0.04 0.00 0.00 177.00 176.55 2k87 n ASN 17 N -3.44 -2.16 -4.88 6.66 6.94 -1.26 -4.95 115.26 112.17 2k87 n ASN 17 Ca 0.10 -1.11 -0.30 0.00 -0.02 0.00 0.00 54.58 53.25 2k87 n ASN 17 Cb 0.52 -1.85 0.01 0.00 -2.36 0.00 0.00 39.78 36.10 2k87 n ASN 17 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k87 s ALA 18 N -3.20 3.18 -0.10 -2.53 0.00 -1.22 -3.47 121.76 114.41 2k87 s ALA 18 Ca 0.78 -0.22 -0.20 0.00 0.00 0.00 0.00 51.96 52.32 2k87 s ALA 18 Cb -0.45 -2.94 0.05 0.00 0.00 0.00 0.00 23.12 19.78 2k87 s ALA 18 CO 0.96 -0.62 0.49 0.45 0.00 0.00 0.00 175.76 177.04 2k87 s SER 19 N -4.17 -0.46 1.10 0.00 0.15 0.78 -4.92 113.70 106.17 2k87 s SER 19 Ca 0.53 0.67 -0.12 0.00 0.70 0.00 0.00 55.95 57.73 2k87 s SER 19 Cb -0.11 0.71 0.24 0.00 -1.71 0.00 0.00 66.02 65.14 2k87 s SER 19 CO 0.51 -0.36 1.00 0.33 1.20 0.00 0.00 173.24 175.92 2k87 n PHE 20 N 1.89 -0.65 -3.98 3.44 7.35 -1.26 -1.21 117.46 123.04 2k87 n PHE 20 Ca -0.17 0.03 -0.11 0.00 -0.76 0.00 0.00 57.45 56.44 2k87 n PHE 20 Cb 0.56 -1.79 -0.03 0.00 0.35 0.00 0.00 39.48 38.58 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 -4.53 -0.83 -0.29 -2.13 2.03 -1.26 -4.77 116.55 104.77 2k87 n ASP 21 Ca 0.06 -2.35 0.00 0.00 0.52 0.00 0.00 54.79 53.01 2k87 n ASP 21 Cb 0.54 1.60 0.00 0.00 -0.72 0.00 0.00 41.12 42.54 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 -1.86 0.33 -4.73 1.67 4.13 -1.26 -4.83 115.26 108.71 2k87 n ASN 22 Ca 0.02 -1.13 -0.42 0.00 1.68 0.00 0.00 54.58 54.73 2k87 n ASN 22 Cb 0.41 -0.16 -0.03 0.00 -1.54 0.00 0.00 39.78 38.45 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 -1.42 3.09 0.37 3.10 -0.12 -1.26 -0.58 117.98 121.16 2k87 s PHE 23 Ca 0.00 0.90 -0.03 0.00 -0.05 0.00 0.00 56.93 57.75 2k87 s PHE 23 Cb 0.00 -3.81 -0.04 0.00 -0.63 0.00 0.00 43.02 38.54 2k87 s PHE 23 CO 0.00 -2.79 0.62 0.21 -0.05 0.00 0.00 175.22 173.21 2k87 s LYS 24 N 0.40 3.55 -0.03 1.99 2.20 0.29 -4.83 119.74 123.30 2k87 s LYS 24 Ca 0.63 -0.07 -0.01 0.00 -0.36 0.00 0.00 55.97 56.16 2k87 s LYS 24 Cb -0.41 -2.57 -0.04 0.00 -1.51 0.00 0.00 37.83 33.30 2k87 s LYS 24 CO 0.37 0.07 0.05 -0.51 -0.36 0.00 0.00 175.35 174.96 2k87 s LEU 25 N -4.20 3.78 0.29 5.43 1.02 -1.26 -0.70 118.68 123.03 2k87 s LEU 25 Ca 0.43 0.14 0.04 0.00 0.02 0.00 0.00 54.13 54.76 2k87 s LEU 25 Cb -0.10 -2.10 -0.06 0.00 0.02 0.00 0.00 46.19 43.95 2k87 s LEU 25 CO 0.36 0.31 0.04 0.42 0.02 0.00 0.00 176.35 177.50 2k87 s THR 26 N -1.09 1.10 0.00 5.49 -4.23 0.80 -4.79 115.64 112.92 2k87 s THR 26 Ca 0.19 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2k87 s THR 26 Cb -0.12 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.11 2k87 s THR 26 CO 0.10 -0.12 0.00 0.00 -0.54 0.00 0.00 174.62 174.06 2k87 h SER 28 N 0.00 -0.23 -2.41 0.00 4.64 -2.02 -3.35 113.55 110.18 2k87 h SER 28 Ca 0.00 -0.06 -0.57 0.00 -0.47 0.00 0.00 61.79 60.69 2k87 h SER 28 Cb 0.00 0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2k87 h SER 28 CO 0.00 -0.09 1.36 0.21 -0.87 0.00 0.00 176.83 177.43 2k87 s ASN 29 N -5.03 5.69 0.05 4.97 3.84 -1.26 -4.91 114.94 118.30 2k87 s ASN 29 Ca -0.15 1.44 -0.21 0.00 0.21 0.00 0.00 52.86 54.15 2k87 s ASN 29 Cb 0.05 -2.52 -0.14 0.00 -0.55 0.00 0.00 41.25 38.09 2k87 s ASN 29 CO 0.64 -1.84 1.44 0.71 -2.79 0.00 0.00 177.10 175.25 2k87 h THR 30 N 6.94 1.29 -0.83 -5.21 1.35 -1.96 -3.18 112.91 111.30 2k87 h THR 30 Ca -0.35 -0.96 0.15 0.00 -0.55 0.00 0.00 66.41 64.70 2k87 h THR 30 Cb 1.19 1.66 -0.10 0.00 -1.73 0.00 0.00 68.15 69.17 2k87 h THR 30 CO 1.02 0.28 0.41 0.50 -0.25 0.00 0.00 175.52 177.48 2k87 h LYS 31 N -0.05 0.56 0.28 4.72 1.63 -1.93 0.13 116.57 121.91 2k87 h LYS 31 Ca 0.03 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2k87 h LYS 31 Cb 0.44 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.92 2k87 h LYS 31 CO 0.01 0.37 -0.37 0.35 -3.45 0.00 0.00 179.45 176.36 2k87 h PHE 32 N 0.58 -1.01 -0.25 1.91 3.57 -1.78 0.66 116.94 120.61 2k87 h PHE 32 Ca 0.46 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.92 2k87 h PHE 32 Cb 0.68 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 2k87 h PHE 32 CO -0.11 -0.50 -0.10 0.00 -2.23 0.00 0.00 178.31 175.37 2k87 h ALA 33 N -0.22 1.37 -0.00 2.41 0.00 -1.44 -2.80 119.26 118.57 2k87 h ALA 33 Ca -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 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 -0.12 0.43 -0.00 0.22 0.00 0.00 0.00 179.25 179.78 2k87 h ASP 34 N 0.38 0.00 -1.01 0.00 3.58 -0.14 0.18 116.42 119.41 2k87 h ASP 34 Ca 0.08 -0.55 0.02 0.00 0.42 0.00 0.00 57.03 57.00 2k87 h ASP 34 Cb 0.42 -0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.41 2k87 h ASP 34 CO 0.02 0.55 0.66 -0.78 -2.88 0.00 0.00 179.24 176.82 2k87 h ASP 35 N -0.54 1.13 -0.28 2.28 1.82 -0.96 -1.20 116.42 118.68 2k87 h ASP 35 Ca 0.00 -0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.58 2k87 h ASP 35 Cb 0.55 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 2k87 h ASP 35 CO 0.00 0.81 0.01 -0.07 -1.61 0.00 0.00 179.24 178.38 2k87 h LEU 36 N 1.33 0.47 -1.74 2.28 3.38 -1.39 -2.57 115.31 117.07 2k87 h LEU 36 Ca 0.38 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 58.14 2k87 h LEU 36 Cb -0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2k87 h LEU 36 CO -0.10 0.65 0.33 0.78 0.09 0.00 0.00 178.44 180.20 2k87 h ASN 37 N 0.27 0.27 0.93 -0.43 2.35 -0.23 -0.77 115.58 117.97 2k87 h ASN 37 Ca 0.08 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 2k87 h ASN 37 Cb 0.41 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2k87 h ASN 37 CO 0.01 0.17 -0.45 1.56 -1.65 0.00 0.00 177.43 177.07 2k87 h GLN 38 N 0.31 0.00 -0.04 0.81 1.08 -0.92 -1.03 115.11 115.31 2k87 h GLN 38 Ca 0.22 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.24 2k87 h GLN 38 Cb 0.49 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2k87 h GLN 38 CO -0.05 0.45 -0.78 0.52 -0.95 0.00 0.00 178.83 178.02 2k87 h MET 39 N 0.00 0.33 -0.02 1.46 2.86 -0.75 -3.28 114.93 115.52 2k87 h MET 39 Ca -0.00 -0.29 -0.18 0.00 -2.06 0.00 0.00 59.70 57.17 2k87 h MET 39 Cb 1.04 0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.78 2k87 h MET 39 CO 0.06 0.95 -0.69 1.79 1.06 0.00 0.00 176.91 180.09 2k87 h THR 40 N 0.21 1.39 0.00 2.22 1.35 -1.43 -3.48 112.91 113.16 2k87 h THR 40 Ca -0.04 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 2k87 h THR 40 Cb 1.36 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 70.28 2k87 h THR 40 CO 0.13 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 2k87 n GLY 41 N 1.02 1.76 3.66 5.82 0.00 -0.73 -5.06 105.19 111.66 2k87 n GLY 41 Ca -0.10 -0.03 -0.49 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.28 2.10 -4.33 1.61 7.35 -0.47 -4.97 117.46 117.47 2k87 n PHE 42 Ca 0.00 0.32 -0.28 0.00 -0.76 0.00 0.00 57.45 56.72 2k87 n PHE 42 Cb 0.01 -2.52 -0.17 0.00 0.35 0.00 0.00 39.48 37.16 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 1.76 1.46 0.84 -2.13 2.01 -1.26 -4.92 115.64 113.39 2k87 s THR 43 Ca 0.85 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 2k87 s THR 43 Cb -0.78 -1.35 0.10 0.00 0.01 0.00 0.00 72.50 70.48 2k87 s THR 43 CO 0.45 0.43 1.10 -0.54 -0.69 0.00 0.00 174.62 175.38 2k87 s LYS 44 N 1.13 1.72 -0.02 4.92 1.02 -1.26 -4.10 119.74 123.15 2k87 s LYS 44 Ca -0.04 1.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.81 2k87 s LYS 44 Cb -0.14 -1.84 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 2k87 s LYS 44 CO -0.04 -2.02 1.17 -1.25 -0.92 0.00 0.00 175.35 172.30 2k87 s PRO 45 N -4.85 4.40 0.43 -1.68 0.04 -1.26 -5.12 135.00 126.95 2k87 s PRO 45 Ca 0.63 1.67 -0.24 0.00 0.04 0.00 0.00 61.00 63.10 2k87 s PRO 45 Cb -0.19 -3.48 -0.08 0.00 0.04 0.00 0.00 34.50 30.79 2k87 s PRO 45 CO 0.57 -0.35 1.10 0.00 0.04 0.00 0.00 177.00 178.37 2k87 s ALA 46 N 1.74 3.04 -0.70 8.56 0.00 -1.26 -4.96 121.76 128.18 2k87 s ALA 46 Ca 0.56 0.81 0.24 0.00 0.00 0.00 0.00 51.96 53.57 2k87 s ALA 46 Cb -0.26 -3.32 0.21 0.00 0.00 0.00 0.00 23.12 19.75 2k87 s ALA 46 CO 0.25 -0.41 1.18 0.43 0.00 0.00 0.00 175.76 177.20 2k87 n SER 47 N -0.25 0.63 -4.07 0.00 7.64 0.25 -4.95 113.62 112.88 2k87 n SER 47 Ca 0.06 -0.14 -0.10 0.00 1.01 0.00 0.00 58.87 59.69 2k87 n SER 47 Cb 0.49 0.52 -0.07 0.00 -1.01 0.00 0.00 64.21 64.13 2k87 n SER 47 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2k87 s ARG 48 N -3.15 1.41 -0.33 1.43 0.52 -1.22 -4.90 118.95 112.71 2k87 s ARG 48 Ca 0.06 -1.41 -0.00 0.00 -0.52 0.00 0.00 55.73 53.85 2k87 s ARG 48 Cb 0.15 0.39 0.13 0.00 0.52 0.00 0.00 34.95 36.14 2k87 s ARG 48 CO 0.76 -0.54 0.25 -1.21 0.02 0.00 0.00 175.30 174.58 2k87 s GLU 49 N -4.06 0.43 0.73 3.54 2.02 -1.25 -0.55 118.70 119.56 2k87 s GLU 49 Ca 0.29 -0.74 -0.14 0.00 0.02 0.00 0.00 54.97 54.40 2k87 s GLU 49 Cb 0.02 -0.97 0.04 0.00 0.10 0.00 0.00 34.13 33.33 2k87 s GLU 49 CO 0.10 -1.12 1.15 -0.51 0.02 0.00 0.00 175.26 174.90 2k87 s LEU 50 N 1.71 3.25 0.03 1.80 2.01 0.12 -4.85 118.68 122.75 2k87 s LEU 50 Ca 0.14 2.13 0.01 0.00 0.01 0.00 0.00 54.13 56.41 2k87 s LEU 50 Cb -0.17 -4.56 -0.02 0.00 0.01 0.00 0.00 46.19 41.44 2k87 s LEU 50 CO -0.17 -2.09 -0.05 -0.55 1.01 0.00 0.00 176.35 174.50 2k87 s SER 51 N -2.50 0.55 0.04 2.29 0.15 -1.26 -0.14 113.70 112.83 2k87 s SER 51 Ca 0.69 -0.54 0.04 0.00 0.70 0.00 0.00 55.95 56.83 2k87 s SER 51 Cb -0.23 0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.13 2k87 s SER 51 CO 0.47 -0.26 -0.11 -0.69 1.20 0.00 0.00 173.24 173.84 2k87 s VAL 52 N -1.50 0.87 -0.02 4.45 1.01 -1.12 -0.46 120.40 123.63 2k87 s VAL 52 Ca -0.12 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 60.98 2k87 s VAL 52 Cb -0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 2k87 s VAL 52 CO -0.01 -0.09 -0.15 0.42 0.00 0.00 0.00 175.10 175.28 2k87 s THR 53 N -0.90 1.18 -0.07 3.92 -4.23 -1.12 -4.38 115.64 110.03 2k87 s THR 53 Ca -0.01 -0.62 -0.30 0.00 -1.18 0.00 0.00 61.69 59.58 2k87 s THR 53 Cb -0.08 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.75 2k87 s THR 53 CO 0.01 0.34 1.03 -0.36 -0.54 0.00 0.00 174.62 175.10 2k87 s PHE 54 N -0.22 3.49 0.72 3.99 0.08 -1.26 -1.28 117.98 123.50 2k87 s PHE 54 Ca 0.03 1.55 -0.17 0.00 0.12 0.00 0.00 56.93 58.47 2k87 s PHE 54 Cb -0.07 -3.22 -0.08 0.00 -0.57 0.00 0.00 43.02 39.09 2k87 s PHE 54 CO 0.00 -0.37 0.18 0.34 -0.10 0.00 0.00 175.22 175.28 2k87 n PHE 55 N 4.79 -1.94 1.25 0.36 7.35 -1.17 -2.87 117.46 125.24 2k87 n PHE 55 Ca 0.09 0.32 0.11 0.00 -0.76 0.00 0.00 57.45 57.20 2k87 n PHE 55 Cb 0.49 -1.79 0.62 0.00 0.35 0.00 0.00 39.48 39.15 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 0.23 0.53 -2.10 -7.13 -0.04 -1.26 -5.05 135.00 120.18 2k87 n PRO 56 Ca 0.08 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 2k87 n PRO 56 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.27 6.75 -0.08 3.54 1.11 -1.14 -4.91 116.67 119.67 2k87 s ASP 57 Ca 0.28 2.26 0.20 0.00 0.18 0.00 0.00 52.55 55.47 2k87 s ASP 57 Cb 0.15 -2.56 0.43 0.00 1.07 0.00 0.00 42.92 42.01 2k87 s ASP 57 CO 0.30 -0.80 1.19 0.00 1.18 0.00 0.00 175.17 177.04 2k87 n LEU 58 N 5.60 1.65 0.23 1.23 -0.00 -1.26 -4.01 117.00 120.44 2k87 n LEU 58 Ca 0.14 -2.72 0.07 0.00 -0.00 0.00 0.00 56.01 53.50 2k87 n LEU 58 Cb 0.42 -0.19 0.54 0.00 -0.00 0.00 0.00 43.42 44.20 2k87 n LEU 58 CO 0.60 0.85 0.89 0.78 -0.00 0.00 0.00 177.39 180.51 2k87 h ASN 59 N 1.03 0.00 -3.27 1.45 2.35 -1.90 -3.45 115.58 111.78 2k87 h ASN 59 Ca -0.14 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.09 2k87 h ASN 59 Cb 1.57 0.00 0.22 0.00 0.05 0.00 0.00 38.32 40.15 2k87 h ASN 59 CO 0.07 0.19 -0.60 0.61 -1.65 0.00 0.00 177.43 176.06 2k87 n GLY 60 N -0.85 -1.99 0.26 2.83 0.00 -1.26 -4.91 105.19 99.27 2k87 n GLY 60 Ca -0.02 -0.77 0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.71 0.00 -4.30 1.61 5.19 -1.09 -3.44 116.42 112.68 2k87 h ASP 61 Ca -0.46 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 55.59 2k87 h ASP 61 Cb 1.30 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 40.62 2k87 h ASP 61 CO 0.36 0.11 -0.75 -0.69 -3.12 0.00 0.00 179.24 175.15 2k87 s VAL 62 N -3.79 1.07 0.23 -1.35 1.01 -1.12 -4.45 120.40 112.00 2k87 s VAL 62 Ca -0.00 -1.59 0.11 0.00 0.00 0.00 0.00 61.98 60.50 2k87 s VAL 62 Cb 0.10 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 2k87 s VAL 62 CO 0.58 -0.45 -0.19 -0.69 0.00 0.00 0.00 175.10 174.35 2k87 s VAL 63 N -2.11 2.61 -0.06 2.92 1.01 -0.45 -2.81 120.40 121.51 2k87 s VAL 63 Ca 0.05 -2.09 0.06 0.00 0.00 0.00 0.00 61.98 60.00 2k87 s VAL 63 Cb -0.05 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 2k87 s VAL 63 CO 0.01 -0.23 -0.25 0.00 0.00 0.00 0.00 175.10 174.64 2k87 s ALA 64 N -2.00 2.13 0.03 5.51 0.00 -0.41 -1.33 121.76 125.69 2k87 s ALA 64 Ca 0.25 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 51.24 2k87 s ALA 64 Cb -0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 2k87 s ALA 64 CO 0.13 0.41 -0.19 0.42 0.00 0.00 0.00 175.76 176.53 2k87 s ILE 65 N -0.16 1.54 0.30 0.00 -1.09 0.42 -3.02 121.20 119.19 2k87 s ILE 65 Ca -0.03 -1.05 -0.29 0.00 -2.23 0.00 0.00 60.65 57.05 2k87 s ILE 65 Cb -0.14 -1.32 -0.10 0.00 -1.58 0.00 0.00 42.46 39.32 2k87 s ILE 65 CO 0.04 0.24 1.13 -0.62 -1.23 0.00 0.00 174.94 174.50 2k87 s ASP 66 N -0.95 7.13 0.47 3.58 -1.08 -1.26 -1.33 116.67 123.23 2k87 s ASP 66 Ca 0.07 2.32 0.09 0.00 -0.52 0.00 0.00 52.55 54.51 2k87 s ASP 66 Cb -0.08 -2.63 0.48 0.00 -1.46 0.00 0.00 42.92 39.23 2k87 s ASP 66 CO 0.01 -0.25 1.17 0.22 0.52 0.00 0.00 175.17 176.84 2k87 h TYR 67 N 3.62 0.00 -1.06 -5.34 5.03 -1.89 -2.09 116.97 115.24 2k87 h TYR 67 Ca -0.47 0.00 0.28 0.00 2.58 0.00 0.00 58.73 61.12 2k87 h TYR 67 Cb 1.22 0.00 -0.10 0.00 1.55 0.00 0.00 36.73 39.40 2k87 h TYR 67 CO 0.58 0.00 0.68 0.00 -1.32 0.00 0.00 178.16 178.10 2k87 h ARG 68 N 0.00 0.36 -0.01 1.82 2.47 -1.91 0.15 114.38 117.26 2k87 h ARG 68 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2k87 h ARG 68 Cb 1.24 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 2k87 h ARG 68 CO 0.00 0.24 -0.08 0.72 0.56 0.00 0.00 179.97 181.41 2k87 n HIS 69 N -4.64 0.00 -2.24 3.04 8.25 -0.78 -4.76 115.22 114.08 2k87 n HIS 69 Ca 0.26 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.38 2k87 n HIS 69 Cb 0.92 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.93 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 -2.20 2.03 0.47 4.41 5.04 0.51 -4.97 117.35 122.64 2k87 s TYR 70 Ca 0.35 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.15 2k87 s TYR 70 Cb 0.21 -4.29 0.00 0.00 0.35 0.00 0.00 41.96 38.22 2k87 s TYR 70 CO 0.41 -1.93 0.69 0.45 -1.34 0.00 0.00 175.55 173.83 2k87 s SER 71 N 6.76 5.73 0.60 4.32 0.15 -1.26 -5.01 113.70 124.99 2k87 s SER 71 Ca 0.59 0.23 0.30 0.00 0.70 0.00 0.00 55.95 57.78 2k87 s SER 71 Cb -0.06 -1.41 1.76 0.00 -1.71 0.00 0.00 66.02 64.60 2k87 s SER 71 CO 0.02 -0.78 2.15 0.00 1.20 0.00 0.00 173.24 175.82 2k87 h ALA 72 N 0.34 1.65 -0.91 5.45 0.00 -2.02 -1.99 119.26 121.77 2k87 h ALA 72 Ca -0.45 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 54.67 2k87 h ALA 72 Cb 1.26 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 2k87 h ALA 72 CO 0.56 -0.21 0.61 0.77 0.00 0.00 0.00 179.25 180.98 2k87 h SER 73 N 0.00 0.37 -0.56 0.00 0.02 -1.97 -2.43 113.55 108.97 2k87 h SER 73 Ca 0.06 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2k87 h SER 73 Cb 0.35 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2k87 h SER 73 CO -0.00 0.14 0.00 0.49 -1.14 0.00 0.00 176.83 176.32 2k87 n PHE 74 N -4.50 1.19 0.26 3.45 3.72 -0.75 -4.62 117.46 116.21 2k87 n PHE 74 Ca 0.20 -0.49 0.09 0.00 -0.05 0.00 0.00 57.45 57.20 2k87 n PHE 74 Cb 0.74 -0.18 0.67 0.00 -0.94 0.00 0.00 39.48 39.76 2k87 n PHE 74 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2k87 h LYS 75 N 3.50 0.00 -0.48 -1.08 2.10 -1.60 -1.60 116.57 117.41 2k87 h LYS 75 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k87 h LYS 75 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2k87 h LYS 75 CO 0.16 0.06 0.00 1.63 -2.00 0.00 0.00 179.45 179.30 2k87 n LYS 76 N -4.28 3.59 0.00 0.07 5.02 -1.26 -4.94 118.16 116.36 2k87 n LYS 76 Ca -0.03 -2.80 0.00 0.00 -2.02 0.00 0.00 58.31 53.46 2k87 n LYS 76 Cb 0.14 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 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 0.49 3.29 3.59 0.72 0.00 -0.60 -4.51 105.19 108.17 2k87 n GLY 77 Ca 0.23 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.85 0.14 0.05 4.61 0.00 -1.26 -2.44 121.76 120.01 2k87 s ALA 78 Ca 0.00 -1.16 -0.12 0.00 0.00 0.00 0.00 51.96 50.68 2k87 s ALA 78 Cb 0.00 1.03 0.01 0.00 0.00 0.00 0.00 23.12 24.16 2k87 s ALA 78 CO 0.00 -0.85 0.26 -1.59 0.00 0.00 0.00 175.76 173.57 2k87 s LYS 79 N -3.21 0.78 0.00 0.00 -2.85 -0.08 -3.34 119.74 111.04 2k87 s LYS 79 Ca 0.25 -0.61 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 2k87 s LYS 79 Cb -0.01 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 2k87 s LYS 79 CO 0.15 -0.24 0.00 -0.11 0.10 0.00 0.00 175.35 175.24 2k87 n LEU 80 N 0.52 0.00 -0.25 2.77 0.00 0.89 -1.15 117.00 119.78 2k87 n LEU 80 Ca -0.18 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.76 2k87 n LEU 80 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.96 2k87 n LEU 80 CO 0.21 0.00 0.43 0.18 0.00 0.00 0.00 177.39 178.22 2k87 n LEU 81 N 0.00 -0.63 -0.85 -1.96 4.32 -1.22 -3.54 117.00 113.11 2k87 n LEU 81 Ca 0.00 1.36 0.01 0.00 -0.02 0.00 0.00 56.01 57.35 2k87 n LEU 81 Cb 0.00 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.52 2k87 n LEU 81 CO 0.00 -1.01 0.20 0.00 -1.22 0.00 0.00 177.39 175.35 2k87 n HIS 82 N -4.38 0.00 -4.18 -1.77 1.44 -1.26 -5.08 115.22 99.99 2k87 n HIS 82 Ca 0.01 -0.20 -0.15 0.00 -2.01 0.00 0.00 57.72 55.38 2k87 n HIS 82 Cb 0.16 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.16 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 0.85 0.66 -1.40 1.02 -1.23 -5.16 119.74 114.48 2k87 s LYS 83 Ca 0.11 -1.14 -0.12 0.00 0.02 0.00 0.00 55.97 54.84 2k87 s LYS 83 Cb 0.12 -0.56 -0.01 0.00 -0.52 0.00 0.00 37.83 36.86 2k87 s LYS 83 CO -0.05 0.09 1.05 -1.25 -0.92 0.00 0.00 175.35 174.27 2k87 s PRO 84 N -2.70 3.13 0.14 -1.68 0.04 -1.26 -0.08 135.00 132.60 2k87 s PRO 84 Ca 0.05 0.96 0.07 0.00 0.04 0.00 0.00 61.00 62.12 2k87 s PRO 84 Cb -0.04 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2k87 s PRO 84 CO 0.00 -0.95 -0.16 0.96 0.04 0.00 0.00 177.00 176.90 2k87 s ILE 85 N -2.96 1.55 0.33 0.56 -5.25 -1.21 -1.35 121.20 112.86 2k87 s ILE 85 Ca 0.58 -1.83 0.10 0.00 -0.99 0.00 0.00 60.65 58.51 2k87 s ILE 85 Cb -0.14 -1.70 -0.06 0.00 2.95 0.00 0.00 42.46 43.52 2k87 s ILE 85 CO 0.51 -0.39 -0.11 0.68 -1.79 0.00 0.00 174.94 173.84 2k87 s VAL 86 N -2.18 2.22 0.20 8.37 -7.23 -0.44 -4.71 120.40 116.63 2k87 s VAL 86 Ca 0.13 -2.23 -0.05 0.00 -1.81 0.00 0.00 61.98 58.02 2k87 s VAL 86 Cb -0.05 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 2k87 s VAL 86 CO 0.05 -0.25 0.45 0.26 -0.31 0.00 0.00 175.10 175.30 2k87 s TRP 87 N -2.63 3.47 0.23 2.82 0.52 -1.26 -0.44 118.94 121.66 2k87 s TRP 87 Ca 0.32 0.58 0.01 0.00 0.02 0.00 0.00 56.10 57.03 2k87 s TRP 87 Cb 0.01 -2.04 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 2k87 s TRP 87 CO 0.16 0.33 0.17 -3.38 0.02 0.00 0.00 176.95 174.25 2k87 s HIS 88 N -1.83 1.29 -0.01 -1.98 -3.43 -0.44 -4.83 115.29 104.06 2k87 s HIS 88 Ca 0.42 -1.44 0.01 0.00 -0.80 0.00 0.00 55.06 53.26 2k87 s HIS 88 Cb -0.11 -0.58 0.02 0.00 -1.43 0.00 0.00 32.58 30.47 2k87 s HIS 88 CO 0.26 -0.70 0.75 1.51 -2.00 0.00 0.00 174.74 174.56 2k87 n ILE 89 N -0.36 0.41 0.00 -5.38 3.06 -0.53 -2.90 119.36 113.67 2k87 n ILE 89 Ca 0.03 -0.43 0.00 0.00 -2.50 0.00 0.00 62.75 59.85 2k87 n ILE 89 Cb 0.65 0.71 0.00 0.00 0.54 0.00 0.00 39.64 41.54 2k87 n ILE 89 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 2k87 n ASN 90 N -0.24 0.00 -1.91 9.51 2.04 -1.26 -4.84 115.26 118.57 2k87 n ASN 90 Ca 0.01 0.00 -0.16 0.00 -0.44 0.00 0.00 54.58 53.99 2k87 n ASN 90 Cb 0.46 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.67 2k87 n ASN 90 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k87 n GLN 91 N 0.00 -1.65 -4.35 -3.83 6.02 -1.26 -4.98 117.38 107.33 2k87 n GLN 91 Ca 0.00 0.86 -0.18 0.00 -0.01 0.00 0.00 57.00 57.67 2k87 n GLN 91 Cb 0.00 -5.31 -0.10 0.00 1.02 0.00 0.00 30.24 25.85 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 -2.55 1.93 0.21 -1.58 0.00 -1.26 -4.53 121.76 113.98 2k87 s ALA 92 Ca 0.00 -1.85 0.11 0.00 0.00 0.00 0.00 51.96 50.22 2k87 s ALA 92 Cb 0.00 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 24.06 2k87 s ALA 92 CO 0.00 -0.43 -0.19 -0.08 0.00 0.00 0.00 175.76 175.06 2k87 s THR 93 N -3.63 2.63 0.28 0.00 -1.32 -1.26 -1.45 115.64 110.89 2k87 s THR 93 Ca 0.37 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 2k87 s THR 93 Cb 0.07 -2.30 -0.02 0.00 -1.51 0.00 0.00 72.50 68.74 2k87 s THR 93 CO 0.15 -0.18 0.30 0.42 -2.21 0.00 0.00 174.62 173.09 2k87 s THR 94 N -1.88 0.00 0.26 5.08 -4.23 -1.26 -4.99 115.64 108.61 2k87 s THR 94 Ca 0.24 -1.85 0.26 0.00 -1.18 0.00 0.00 61.69 59.16 2k87 s THR 94 Cb -0.07 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.52 2k87 s THR 94 CO 0.13 0.00 1.76 0.11 -0.54 0.00 0.00 174.62 176.07 2k87 h LYS 95 N 2.30 0.00 0.27 3.99 1.57 -2.02 0.27 116.57 122.95 2k87 h LYS 95 Ca -0.29 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 2k87 h LYS 95 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2k87 h LYS 95 CO 0.42 0.00 -0.13 1.15 -0.57 0.00 0.00 179.45 180.32 2k87 h THR 96 N 0.00 0.00 -0.01 -0.16 2.02 -2.03 -3.36 112.91 109.37 2k87 h THR 96 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2k87 h THR 96 Cb 0.36 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2k87 h THR 96 CO 0.00 0.00 -0.01 0.35 0.37 0.00 0.00 175.52 176.23 2k87 n THR 97 N -3.16 0.00 0.39 3.16 -2.24 -0.57 -3.61 114.28 108.26 2k87 n THR 97 Ca -0.04 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 2k87 n THR 97 Cb 0.14 -0.12 -0.09 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.86 -1.11 -0.29 4.78 3.57 -1.13 -1.16 116.94 122.46 2k87 h PHE 98 Ca 0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.55 2k87 h PHE 98 Cb 0.21 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.26 2k87 h PHE 98 CO 0.00 -0.64 -0.23 0.87 -2.23 0.00 0.00 178.31 176.09 2k87 h LYS 99 N -1.06 -0.20 0.00 1.11 1.57 -1.75 -0.43 116.57 115.81 2k87 h LYS 99 Ca -0.09 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 2k87 h LYS 99 Cb 0.85 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2k87 h LYS 99 CO 0.11 -0.13 -0.29 -1.00 -0.57 0.00 0.00 179.45 177.56 2k87 h PRO 100 N -0.21 0.00 0.00 3.15 0.13 -1.76 -3.11 132.00 130.20 2k87 h PRO 100 Ca 0.15 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.18 2k87 h PRO 100 Cb 0.44 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2k87 h PRO 100 CO -0.41 0.29 -0.50 -0.91 -0.23 0.00 0.00 178.00 176.25 2k87 h ASN 101 N 0.00 0.00 -0.89 1.44 2.35 0.20 -3.10 115.58 115.57 2k87 h ASN 101 Ca -0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 2k87 h ASN 101 Cb 0.84 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.14 2k87 h ASN 101 CO 0.04 0.50 0.58 0.71 -1.65 0.00 0.00 177.43 177.60 2k87 h THR 102 N 0.00 0.98 -0.55 2.81 1.35 -1.22 -0.51 112.91 115.77 2k87 h THR 102 Ca -0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2k87 h THR 102 Cb 0.93 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.32 2k87 h THR 102 CO 0.06 0.16 0.36 -0.50 -0.25 0.00 0.00 175.52 175.35 2k87 h TRP 103 N 0.90 0.69 -0.18 4.73 4.06 -1.70 0.18 115.95 124.63 2k87 h TRP 103 Ca 0.41 0.01 -0.20 0.00 2.06 0.00 0.00 58.89 61.18 2k87 h TRP 103 Cb 0.39 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 2k87 h TRP 103 CO -0.00 0.44 -0.67 0.00 -3.56 0.00 0.00 178.44 174.65 2k87 h LEU 105 N 0.51 0.99 -2.42 0.00 3.38 -0.64 0.69 115.31 117.81 2k87 h LEU 105 Ca -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2k87 h LEU 105 Cb 1.27 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2k87 h LEU 105 CO 0.13 0.96 -0.03 0.03 0.09 0.00 0.00 178.44 179.62 2k87 h ARG 106 N 1.00 0.00 0.00 1.13 3.08 -0.98 -0.16 114.38 118.45 2k87 h ARG 106 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2k87 h ARG 106 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2k87 h ARG 106 CO 0.00 0.03 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 2k87 n LEU 108 N -2.24 0.40 -4.74 0.00 4.77 -0.18 -4.92 117.00 110.10 2k87 n LEU 108 Ca 0.05 -0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.38 2k87 n LEU 108 Cb 0.40 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.48 2k87 n LEU 108 CO 0.29 0.10 1.06 0.79 -1.33 0.00 0.00 177.39 178.30 2k87 n TRP 109 N -1.82 2.66 -1.60 -1.77 7.02 -0.57 -4.97 117.44 116.38 2k87 n TRP 109 Ca -0.00 0.45 -0.29 0.00 -1.02 0.00 0.00 57.50 56.64 2k87 n TRP 109 Cb 0.40 -2.50 0.16 0.00 -2.42 0.00 0.00 31.31 26.96 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 -0.07 3.05 -0.18 -0.99 0.15 -0.35 -4.67 113.70 110.63 2k87 s SER 110 Ca 0.57 0.69 0.01 0.00 0.70 0.00 0.00 55.95 57.92 2k87 s SER 110 Cb -0.52 -1.05 0.03 0.00 -1.71 0.00 0.00 66.02 62.76 2k87 s SER 110 CO 0.60 -2.81 -0.17 0.42 1.20 0.00 0.00 173.24 172.48 2k87 s THR 111 N -3.43 1.93 -0.46 6.45 -4.23 -1.26 -0.16 115.64 114.48 2k87 s THR 111 Ca 0.68 -0.96 0.04 0.00 -1.18 0.00 0.00 61.69 60.27 2k87 s THR 111 Cb -0.10 -1.81 0.12 0.00 1.34 0.00 0.00 72.50 72.05 2k87 s THR 111 CO 0.53 0.43 0.19 -0.54 -0.54 0.00 0.00 174.62 174.69 2k87 s LYS 112 N 1.32 1.80 0.83 3.99 -0.14 -1.23 -4.99 119.74 121.33 2k87 s LYS 112 Ca 0.03 -2.37 -0.11 0.00 -1.36 0.00 0.00 55.97 52.16 2k87 s LYS 112 Cb -0.14 -3.25 0.10 0.00 -1.68 0.00 0.00 37.83 32.85 2k87 s LYS 112 CO -0.11 -1.06 1.13 -1.25 -0.76 0.00 0.00 175.35 173.30 2k87 s PRO 113 N 0.11 1.65 -0.74 -1.68 0.04 -1.26 -3.56 135.00 129.56 2k87 s PRO 113 Ca 0.15 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2k87 s PRO 113 Cb -0.24 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2k87 s PRO 113 CO -0.03 -2.14 0.00 1.33 0.04 0.00 0.00 177.00 176.21 2k87 n VAL 114 N -3.77 0.00 0.08 -0.36 0.24 -1.26 -4.81 118.33 108.45 2k87 n VAL 114 Ca 0.11 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.26 2k87 n VAL 114 Cb 0.52 -0.74 -0.08 0.00 -1.47 0.00 0.00 33.84 32.08 2k87 n VAL 114 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2k87 h ASP 115 N 0.00 0.57 0.00 -1.34 3.58 -2.02 -3.58 116.42 113.64 2k87 h ASP 115 Ca -0.14 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.81 2k87 h ASP 115 Cb 0.53 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2k87 h ASP 115 CO 0.21 1.31 0.00 0.41 -2.88 0.00 0.00 179.24 178.29