#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 1.61 0.00 2.03 5.04 -1.26 -4.93 117.35 119.83 2k87 s TYR 2 Ca 0.00 -0.95 0.00 0.00 -2.44 0.00 0.00 57.07 53.68 2k87 s TYR 2 Cb 0.00 -1.28 0.00 0.00 0.35 0.00 0.00 41.96 41.03 2k87 s TYR 2 CO 0.00 -0.58 0.39 2.41 -1.34 0.00 0.00 175.55 176.43 2k87 n THR 3 N 4.90 0.00 -1.39 4.34 -1.04 -1.26 -5.08 114.28 114.75 2k87 n THR 3 Ca -0.12 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.56 2k87 n THR 3 Cb 0.49 1.16 0.09 0.00 -1.82 0.00 0.00 70.33 70.25 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 0.00 2.22 0.60 -2.82 8.01 -1.26 -5.01 118.70 120.44 2k87 s GLU 4 Ca 0.00 1.47 -0.16 0.00 0.01 0.00 0.00 54.97 56.29 2k87 s GLU 4 Cb 0.00 -1.87 -0.03 0.00 -4.31 0.00 0.00 34.13 27.92 2k87 s GLU 4 CO 0.00 -1.71 1.07 -1.14 0.01 0.00 0.00 175.26 173.49 2k87 s GLN 5 N -4.31 3.23 1.00 1.61 2.00 -1.26 -5.05 119.66 116.88 2k87 s GLN 5 Ca 0.68 1.26 -0.14 0.00 -2.00 0.00 0.00 55.36 55.15 2k87 s GLN 5 Cb -0.22 -2.02 0.19 0.00 0.80 0.00 0.00 33.01 31.76 2k87 s GLN 5 CO 0.48 -0.89 1.14 -1.25 -0.50 0.00 0.00 175.29 174.27 2k87 s PRO 6 N -4.03 0.41 -1.18 1.67 0.04 -1.26 -4.94 135.00 125.71 2k87 s PRO 6 Ca 0.65 0.20 -0.21 0.00 0.04 0.00 0.00 61.00 61.67 2k87 s PRO 6 Cb -0.17 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 2k87 s PRO 6 CO 0.37 -2.67 1.84 0.42 0.04 0.00 0.00 177.00 177.00 2k87 s ILE 7 N -3.21 3.74 -1.27 0.56 1.01 -1.26 -4.50 121.20 116.27 2k87 s ILE 7 Ca 0.67 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2k87 s ILE 7 Cb -0.14 -4.74 0.00 0.00 0.01 0.00 0.00 42.46 37.59 2k87 s ILE 7 CO 0.55 -1.38 0.00 0.47 0.00 0.00 0.00 174.94 174.58 2k87 n ASP 8 N 12.09 -3.22 -4.82 3.58 8.00 -1.26 -4.82 116.55 126.10 2k87 n ASP 8 Ca 0.45 0.30 -0.38 0.00 0.71 0.00 0.00 54.79 55.86 2k87 n ASP 8 Cb 0.47 -3.04 -0.06 0.00 -0.02 0.00 0.00 41.12 38.47 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 -3.69 4.49 -0.11 0.64 0.20 -1.26 -3.98 118.68 114.96 2k87 s LEU 9 Ca 0.00 1.12 -0.05 0.00 0.69 0.00 0.00 54.13 55.89 2k87 s LEU 9 Cb 0.00 -2.82 0.05 0.00 -0.43 0.00 0.00 46.19 43.00 2k87 s LEU 9 CO 0.00 0.28 0.25 0.68 -0.29 0.00 0.00 176.35 177.26 2k87 s VAL 10 N -1.14 -0.15 -0.20 1.68 -7.23 -0.81 -4.91 120.40 107.66 2k87 s VAL 10 Ca 0.28 0.19 -0.29 0.00 -1.81 0.00 0.00 61.98 60.35 2k87 s VAL 10 Cb -0.18 -0.40 -0.02 0.00 0.56 0.00 0.00 36.38 36.35 2k87 s VAL 10 CO 0.17 0.08 1.38 -2.16 -0.31 0.00 0.00 175.10 174.26 2k87 s PRO 11 N 1.61 4.07 0.24 4.82 0.04 -1.26 -0.87 135.00 143.64 2k87 s PRO 11 Ca -0.06 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.61 2k87 s PRO 11 Cb -0.11 -3.87 0.01 0.00 0.04 0.00 0.00 34.50 30.57 2k87 s PRO 11 CO -0.08 -0.93 0.05 -2.37 0.04 0.00 0.00 177.00 173.71 2k87 n THR 12 N 5.78 0.00 -3.91 1.26 5.66 -1.23 -4.93 114.28 116.91 2k87 n THR 12 Ca 0.15 -1.07 -0.09 0.00 -3.05 0.00 0.00 64.05 59.99 2k87 n THR 12 Cb 0.45 0.07 -0.09 0.00 -1.55 0.00 0.00 70.33 69.22 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 -2.90 0.70 1.10 1.09 -2.07 -1.26 -4.26 119.66 112.05 2k87 s GLN 13 Ca 0.04 -0.86 -0.18 0.00 -1.82 0.00 0.00 55.36 52.54 2k87 s GLN 13 Cb -0.00 0.28 0.27 0.00 -1.09 0.00 0.00 33.01 32.46 2k87 s GLN 13 CO 0.03 -0.19 1.06 -0.35 -1.32 0.00 0.00 175.29 174.52 2k87 n PRO 14 N 0.39 -2.62 -4.31 9.60 -0.04 -1.26 -5.01 135.00 131.74 2k87 n PRO 14 Ca -0.17 -1.69 -0.23 0.00 -0.04 0.00 0.00 63.50 61.37 2k87 n PRO 14 Cb 0.60 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 2k87 n PRO 14 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2k87 s LEU 15 N 0.00 3.10 0.00 1.53 2.34 -1.26 -5.10 118.68 119.29 2k87 s LEU 15 Ca 0.67 -0.73 -0.16 0.00 0.06 0.00 0.00 54.13 53.97 2k87 s LEU 15 Cb -0.05 -1.60 0.23 0.00 -0.56 0.00 0.00 46.19 44.20 2k87 s LEU 15 CO 0.50 -0.02 1.05 -0.81 -1.06 0.00 0.00 176.35 176.01 2k87 n PRO 16 N -0.87 -2.05 0.00 1.48 -0.04 -1.26 -4.15 135.00 128.11 2k87 n PRO 16 Ca -0.06 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 2k87 n PRO 16 Cb 0.59 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 2k87 n PRO 16 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2k87 n ASN 17 N -4.21 0.00 -4.67 3.54 3.02 -1.26 -4.94 115.26 106.75 2k87 n ASN 17 Ca 0.14 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.25 2k87 n ASN 17 Cb 0.51 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.66 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 0.87 -2.78 5.41 0.00 -1.26 -4.59 120.51 118.16 2k87 n ALA 18 Ca 0.00 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.72 2k87 n ALA 18 Cb 0.00 -2.20 -0.07 0.00 0.00 0.00 0.00 19.45 17.17 2k87 n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k87 s SER 19 N -0.19 -0.00 0.76 0.00 0.15 -0.19 -4.94 113.70 109.30 2k87 s SER 19 Ca 0.60 -0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.68 2k87 s SER 19 Cb -0.63 0.35 0.06 0.00 -1.71 0.00 0.00 66.02 64.09 2k87 s SER 19 CO 0.58 -0.68 1.13 0.12 1.20 0.00 0.00 173.24 175.59 2k87 s PHE 20 N -3.28 2.28 0.12 3.44 5.36 -1.26 -2.31 117.98 122.32 2k87 s PHE 20 Ca 0.00 1.62 -0.26 0.00 -0.96 0.00 0.00 56.93 57.33 2k87 s PHE 20 Cb 0.02 -3.23 0.07 0.00 -0.34 0.00 0.00 43.02 39.54 2k87 s PHE 20 CO -0.08 -2.15 1.00 0.16 -1.46 0.00 0.00 175.22 172.69 2k87 s ASP 21 N -2.75 -0.17 0.00 6.13 1.47 -1.26 -4.90 116.67 115.18 2k87 s ASP 21 Ca 0.66 -0.34 0.00 0.00 1.18 0.00 0.00 52.55 54.06 2k87 s ASP 21 Cb -0.22 0.44 0.00 0.00 -0.34 0.00 0.00 42.92 42.80 2k87 s ASP 21 CO 0.50 -0.80 0.00 0.59 0.68 0.00 0.00 175.17 176.14 2k87 n ASN 22 N -0.45 0.00 -4.72 2.11 5.03 -1.26 -4.79 115.26 111.18 2k87 n ASN 22 Ca -0.06 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 54.97 2k87 n ASN 22 Cb 0.61 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.34 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 -1.19 2.97 0.33 3.10 -0.12 -1.26 -1.01 117.98 120.79 2k87 s PHE 23 Ca 0.00 0.46 -0.06 0.00 -0.05 0.00 0.00 56.93 57.29 2k87 s PHE 23 Cb 0.00 -4.05 -0.05 0.00 -0.63 0.00 0.00 43.02 38.28 2k87 s PHE 23 CO 0.00 -3.95 0.62 0.21 -0.05 0.00 0.00 175.22 172.05 2k87 s LYS 24 N 1.12 3.65 0.26 1.99 2.20 -0.62 -4.90 119.74 123.44 2k87 s LYS 24 Ca 0.73 0.10 0.10 0.00 -0.36 0.00 0.00 55.97 56.53 2k87 s LYS 24 Cb -0.47 -2.57 -0.05 0.00 -1.51 0.00 0.00 37.83 33.22 2k87 s LYS 24 CO 0.32 0.13 -0.17 -0.48 -0.36 0.00 0.00 175.35 174.79 2k87 s LEU 25 N -3.75 2.58 0.12 5.43 0.05 -1.26 -2.10 118.68 119.76 2k87 s LEU 25 Ca 0.45 -1.05 -0.02 0.00 0.05 0.00 0.00 54.13 53.57 2k87 s LEU 25 Cb -0.10 -0.92 -0.04 0.00 -2.05 0.00 0.00 46.19 43.08 2k87 s LEU 25 CO 0.32 -0.07 0.06 0.42 -0.55 0.00 0.00 176.35 176.53 2k87 s THR 26 N -2.70 0.11 0.26 5.48 -4.23 0.08 -4.81 115.64 109.84 2k87 s THR 26 Ca 0.28 -1.85 -0.19 0.00 -1.18 0.00 0.00 61.69 58.75 2k87 s THR 26 Cb -0.03 -1.96 0.02 0.00 1.34 0.00 0.00 72.50 71.87 2k87 s THR 26 CO 0.12 -0.52 0.64 0.00 -0.54 0.00 0.00 174.62 174.33 2k87 h SER 28 N 2.08 0.02 -3.62 0.00 0.02 -1.95 -3.33 113.55 106.77 2k87 h SER 28 Ca -0.22 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.04 2k87 h SER 28 Cb 1.25 -0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.57 2k87 h SER 28 CO 0.28 0.01 -0.49 0.21 -1.14 0.00 0.00 176.83 175.69 2k87 s ASN 29 N -6.34 5.88 0.24 3.07 3.84 -1.26 -5.00 114.94 115.37 2k87 s ASN 29 Ca -0.05 -0.68 -0.05 0.00 0.21 0.00 0.00 52.86 52.29 2k87 s ASN 29 Cb 0.19 -2.09 0.33 0.00 -0.55 0.00 0.00 41.25 39.14 2k87 s ASN 29 CO 0.72 -0.31 1.86 0.71 -2.79 0.00 0.00 177.10 177.30 2k87 h THR 30 N 5.65 1.07 -0.22 -5.21 1.35 -1.94 -2.53 112.91 111.07 2k87 h THR 30 Ca -0.29 -0.35 -0.02 0.00 -0.55 0.00 0.00 66.41 65.20 2k87 h THR 30 Cb 1.13 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 2k87 h THR 30 CO 0.66 0.19 0.07 0.50 -0.25 0.00 0.00 175.52 176.68 2k87 h LYS 31 N 1.03 0.34 0.26 4.72 1.63 -1.92 -1.48 116.57 121.15 2k87 h LYS 31 Ca 0.38 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 60.10 2k87 h LYS 31 Cb 0.13 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 2k87 h LYS 31 CO -0.16 0.44 -0.41 0.35 -3.45 0.00 0.00 179.45 176.21 2k87 h PHE 32 N 0.18 -1.16 -0.23 1.91 3.57 -1.68 0.11 116.94 119.63 2k87 h PHE 32 Ca 0.07 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2k87 h PHE 32 Cb 0.24 0.47 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 2k87 h PHE 32 CO 0.00 -0.51 0.01 0.00 -2.23 0.00 0.00 178.31 175.58 2k87 h ALA 33 N -0.94 1.58 0.00 2.41 0.00 -1.57 -0.92 119.26 119.82 2k87 h ALA 33 Ca -0.03 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2k87 h ALA 33 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2k87 h ALA 33 CO -0.13 0.31 -0.49 0.22 0.00 0.00 0.00 179.25 179.16 2k87 h ASP 34 N 0.33 0.00 0.11 0.00 3.58 -0.71 0.41 116.42 120.14 2k87 h ASP 34 Ca 0.08 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.23 2k87 h ASP 34 Cb 0.22 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.30 2k87 h ASP 34 CO 0.00 0.49 -1.22 -0.78 -2.88 0.00 0.00 179.24 174.86 2k87 h ASP 35 N 0.00 0.88 -0.91 2.28 1.82 -0.49 -2.44 116.42 117.57 2k87 h ASP 35 Ca -0.00 -0.81 -0.01 0.00 -0.39 0.00 0.00 57.03 55.81 2k87 h ASP 35 Cb 1.21 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 40.89 2k87 h ASP 35 CO 0.06 1.61 0.53 -0.07 -1.61 0.00 0.00 179.24 179.76 2k87 h LEU 36 N 0.28 1.10 -1.79 2.28 4.07 -1.06 -0.73 115.31 119.47 2k87 h LEU 36 Ca -0.18 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 57.67 2k87 h LEU 36 Cb 1.89 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 43.34 2k87 h LEU 36 CO 0.23 0.86 -0.15 0.78 -1.08 0.00 0.00 178.44 179.08 2k87 h ASN 37 N 1.26 0.00 1.32 -0.43 2.35 -0.92 -1.23 115.58 117.94 2k87 h ASN 37 Ca 0.32 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.00 2k87 h ASN 37 Cb -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2k87 h ASN 37 CO -0.06 0.15 -0.37 1.56 -1.65 0.00 0.00 177.43 177.06 2k87 h GLN 38 N 0.00 0.00 -0.04 0.81 1.08 -0.67 -0.24 115.11 116.05 2k87 h GLN 38 Ca -0.00 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 2k87 h GLN 38 Cb 0.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2k87 h GLN 38 CO 0.02 0.37 -0.73 0.52 -0.95 0.00 0.00 178.83 178.05 2k87 h MET 39 N 0.00 0.23 0.00 1.46 2.86 -0.03 -3.20 114.93 116.24 2k87 h MET 39 Ca -0.00 -0.19 -0.08 0.00 -2.06 0.00 0.00 59.70 57.36 2k87 h MET 39 Cb 1.13 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 2k87 h MET 39 CO 0.05 0.86 -0.57 1.79 1.06 0.00 0.00 176.91 180.10 2k87 h THR 40 N 0.15 0.54 0.00 2.22 1.35 -1.44 -3.48 112.91 112.26 2k87 h THR 40 Ca -0.02 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 2k87 h THR 40 Cb 1.30 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 2k87 h THR 40 CO 0.11 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.30 2k87 n GLY 41 N 1.22 0.48 3.62 5.82 0.00 -0.90 -5.00 105.19 110.42 2k87 n GLY 41 Ca 0.01 -0.61 -0.50 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.91 1.75 -3.70 1.61 7.35 -0.15 -4.97 117.46 116.45 2k87 n PHE 42 Ca 0.00 0.52 -0.13 0.00 -0.76 0.00 0.00 57.45 57.08 2k87 n PHE 42 Cb 0.00 -2.40 -0.13 0.00 0.35 0.00 0.00 39.48 37.30 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 0.58 -0.22 0.85 -2.13 2.01 -1.26 -4.77 115.64 110.70 2k87 s THR 43 Ca 0.82 0.21 -0.10 0.00 0.31 0.00 0.00 61.69 62.93 2k87 s THR 43 Cb -0.86 -0.42 0.10 0.00 0.01 0.00 0.00 72.50 71.34 2k87 s THR 43 CO 0.44 0.09 1.11 -0.54 -0.69 0.00 0.00 174.62 175.03 2k87 s LYS 44 N 1.82 1.60 0.16 4.92 1.02 -1.26 -4.33 119.74 123.67 2k87 s LYS 44 Ca -0.04 1.32 -0.30 0.00 0.02 0.00 0.00 55.97 56.96 2k87 s LYS 44 Cb -0.11 -1.81 -0.08 0.00 -0.52 0.00 0.00 37.83 35.31 2k87 s LYS 44 CO -0.09 -2.15 1.27 -1.25 -0.92 0.00 0.00 175.35 172.22 2k87 s PRO 45 N -4.78 4.41 0.19 -1.68 0.04 -1.26 -5.14 135.00 126.78 2k87 s PRO 45 Ca 0.64 1.96 -0.29 0.00 0.04 0.00 0.00 61.00 63.35 2k87 s PRO 45 Cb -0.20 -3.24 -0.08 0.00 0.04 0.00 0.00 34.50 31.02 2k87 s PRO 45 CO 0.57 -0.24 0.93 0.00 0.04 0.00 0.00 177.00 178.30 2k87 s ALA 46 N 0.38 3.32 -0.76 8.56 0.00 -1.26 -4.95 121.76 127.05 2k87 s ALA 46 Ca 0.57 0.58 0.25 0.00 0.00 0.00 0.00 51.96 53.36 2k87 s ALA 46 Cb -0.34 -3.21 0.92 0.00 0.00 0.00 0.00 23.12 20.49 2k87 s ALA 46 CO 0.35 0.14 1.77 0.43 0.00 0.00 0.00 175.76 178.45 2k87 n SER 47 N 1.94 0.54 -3.48 0.00 7.64 -0.18 -4.87 113.62 115.21 2k87 n SER 47 Ca -0.01 0.57 -0.11 0.00 1.01 0.00 0.00 58.87 60.34 2k87 n SER 47 Cb 0.48 -0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 2k87 n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k87 s ARG 48 N -3.11 1.86 0.08 1.43 1.70 -1.25 -4.95 118.95 114.71 2k87 s ARG 48 Ca 0.10 -1.43 0.06 0.00 -0.47 0.00 0.00 55.73 53.99 2k87 s ARG 48 Cb 0.13 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.99 2k87 s ARG 48 CO 0.51 -0.81 -0.17 -1.21 -1.08 0.00 0.00 175.30 172.54 2k87 s GLU 49 N -3.28 0.96 0.29 3.89 2.02 -1.26 -1.59 118.70 119.73 2k87 s GLU 49 Ca 0.22 -1.03 0.07 0.00 0.02 0.00 0.00 54.97 54.26 2k87 s GLU 49 Cb -0.02 -1.08 -0.06 0.00 0.10 0.00 0.00 34.13 33.07 2k87 s GLU 49 CO 0.13 0.25 -0.07 -0.51 0.02 0.00 0.00 175.26 175.08 2k87 s LEU 50 N -1.76 2.52 0.25 1.80 1.43 -0.89 -4.95 118.68 117.08 2k87 s LEU 50 Ca 0.02 -1.18 0.08 0.00 -1.03 0.00 0.00 54.13 52.01 2k87 s LEU 50 Cb -0.10 -0.70 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 2k87 s LEU 50 CO 0.03 -0.31 -0.11 -0.55 0.23 0.00 0.00 176.35 175.65 2k87 s SER 51 N -3.46 2.80 0.02 2.29 0.15 -1.26 -0.74 113.70 113.50 2k87 s SER 51 Ca 0.30 -1.10 0.01 0.00 0.70 0.00 0.00 55.95 55.85 2k87 s SER 51 Cb 0.03 -0.17 -0.01 0.00 -1.71 0.00 0.00 66.02 64.15 2k87 s SER 51 CO 0.12 -0.23 -0.05 -0.69 1.20 0.00 0.00 173.24 173.60 2k87 s VAL 52 N -2.93 0.30 0.16 4.45 1.01 -0.43 -0.56 120.40 122.41 2k87 s VAL 52 Ca 0.27 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2k87 s VAL 52 Cb 0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 2k87 s VAL 52 CO 0.10 -0.25 -0.01 0.42 0.00 0.00 0.00 175.10 175.36 2k87 s THR 53 N -0.91 0.71 -0.16 3.92 -4.23 -1.21 -3.11 115.64 110.65 2k87 s THR 53 Ca -0.08 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 58.41 2k87 s THR 53 Cb -0.07 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 2k87 s THR 53 CO -0.00 -0.53 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.17 2k87 s PHE 54 N -3.63 3.05 0.65 3.99 0.08 -1.16 -1.70 117.98 119.27 2k87 s PHE 54 Ca 0.22 -0.26 -0.17 0.00 0.12 0.00 0.00 56.93 56.85 2k87 s PHE 54 Cb 0.06 -1.98 -0.07 0.00 -0.57 0.00 0.00 43.02 40.46 2k87 s PHE 54 CO 0.03 -0.02 0.43 0.34 -0.10 0.00 0.00 175.22 175.90 2k87 n PHE 55 N 3.55 -1.07 1.00 0.36 7.35 -1.14 -1.14 117.46 126.37 2k87 n PHE 55 Ca -0.17 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 2k87 n PHE 55 Cb 0.52 -1.90 0.00 0.00 0.35 0.00 0.00 39.48 38.46 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 -0.16 0.59 -2.33 -7.13 -0.04 -1.26 -5.03 135.00 119.64 2k87 n PRO 56 Ca 0.10 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.13 2k87 n PRO 56 Cb 0.49 -1.09 -0.02 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.12 6.42 -0.17 3.54 1.11 -0.30 -4.82 116.67 121.33 2k87 s ASP 57 Ca 0.00 1.05 0.13 0.00 0.18 0.00 0.00 52.55 53.92 2k87 s ASP 57 Cb 0.00 -2.54 0.41 0.00 1.07 0.00 0.00 42.92 41.86 2k87 s ASP 57 CO 0.00 -1.32 1.21 0.00 1.18 0.00 0.00 175.17 176.23 2k87 n LEU 58 N 8.50 2.43 0.19 1.23 -0.00 -1.26 -2.98 117.00 125.11 2k87 n LEU 58 Ca 0.17 -3.58 0.13 0.00 -0.00 0.00 0.00 56.01 52.73 2k87 n LEU 58 Cb 0.47 -0.45 0.30 0.00 -0.00 0.00 0.00 43.42 43.74 2k87 n LEU 58 CO 0.67 1.24 0.85 0.78 -0.00 0.00 0.00 177.39 180.93 2k87 h ASN 59 N 0.94 0.00 -3.20 1.45 2.35 -1.88 -3.46 115.58 111.79 2k87 h ASN 59 Ca -0.03 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 55.28 2k87 h ASN 59 Cb 1.13 0.00 0.22 0.00 0.05 0.00 0.00 38.32 39.72 2k87 h ASN 59 CO 0.01 0.00 -0.01 -0.83 -1.65 0.00 0.00 177.43 174.95 2k87 s GLY 60 N -4.03 1.54 0.22 2.83 0.00 -1.26 -4.93 107.32 101.70 2k87 s GLY 60 Ca 0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 44.72 44.60 2k87 s GLY 60 CO 0.63 0.62 1.85 -1.80 0.00 0.00 0.00 173.10 174.40 2k87 h ASP 61 N -2.72 1.07 -1.85 1.64 3.58 -1.16 -3.45 116.42 113.53 2k87 h ASP 61 Ca -0.63 -0.09 -0.62 0.00 0.42 0.00 0.00 57.03 56.11 2k87 h ASP 61 Cb 1.34 -0.27 -0.13 0.00 1.72 0.00 0.00 39.33 41.98 2k87 h ASP 61 CO 0.50 0.85 -0.65 -0.69 -2.88 0.00 0.00 179.24 176.36 2k87 s VAL 62 N -5.88 2.17 0.30 2.25 1.01 -0.89 -4.81 120.40 114.55 2k87 s VAL 62 Ca -0.13 -2.14 0.05 0.00 0.00 0.00 0.00 61.98 59.76 2k87 s VAL 62 Cb 0.16 -2.76 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 2k87 s VAL 62 CO 0.82 -0.14 0.01 -0.69 0.00 0.00 0.00 175.10 175.10 2k87 s VAL 63 N -2.64 1.33 0.13 2.92 1.01 -0.57 -3.32 120.40 119.27 2k87 s VAL 63 Ca 0.33 -2.04 0.04 0.00 0.00 0.00 0.00 61.98 60.32 2k87 s VAL 63 Cb 0.05 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2k87 s VAL 63 CO 0.17 -0.13 -0.10 0.00 0.00 0.00 0.00 175.10 175.04 2k87 s ALA 64 N -3.21 1.36 0.07 5.51 0.00 -0.69 -2.68 121.76 122.13 2k87 s ALA 64 Ca 0.33 -1.40 0.04 0.00 0.00 0.00 0.00 51.96 50.93 2k87 s ALA 64 Cb 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 2k87 s ALA 64 CO 0.14 -0.08 -0.11 0.42 0.00 0.00 0.00 175.76 176.13 2k87 s ILE 65 N -3.06 0.87 0.10 0.00 -1.09 0.16 -2.89 121.20 115.29 2k87 s ILE 65 Ca 0.13 -1.33 -0.31 0.00 -2.23 0.00 0.00 60.65 56.91 2k87 s ILE 65 Cb 0.01 -1.01 -0.10 0.00 -1.58 0.00 0.00 42.46 39.79 2k87 s ILE 65 CO 0.00 -0.38 1.79 -0.62 -1.23 0.00 0.00 174.94 174.51 2k87 s ASP 66 N -1.90 6.48 0.62 3.58 -1.08 -1.26 -1.45 116.67 121.66 2k87 s ASP 66 Ca -0.02 2.66 0.23 0.00 -0.52 0.00 0.00 52.55 54.90 2k87 s ASP 66 Cb -0.08 -2.56 0.91 0.00 -1.46 0.00 0.00 42.92 39.73 2k87 s ASP 66 CO 0.01 -0.97 1.39 0.22 0.52 0.00 0.00 175.17 176.33 2k87 h TYR 67 N 8.72 0.00 -0.38 -5.34 5.03 -1.69 -2.32 116.97 120.99 2k87 h TYR 67 Ca -0.45 0.00 0.11 0.00 2.58 0.00 0.00 58.73 60.97 2k87 h TYR 67 Cb 1.21 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.48 2k87 h TYR 67 CO 0.80 0.00 0.42 0.07 -1.32 0.00 0.00 178.16 178.13 2k87 h ARG 68 N 0.00 0.00 0.00 1.82 0.11 -1.90 0.19 114.38 114.60 2k87 h ARG 68 Ca 0.35 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.39 2k87 h ARG 68 Cb 2.40 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.47 2k87 h ARG 68 CO -0.00 0.00 -0.20 0.45 0.10 0.00 0.00 179.97 180.32 2k87 h HIS 69 N 0.00 0.00 -1.71 4.08 3.86 -1.80 -3.43 115.15 116.14 2k87 h HIS 69 Ca 0.18 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.94 2k87 h HIS 69 Cb 1.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.47 2k87 h HIS 69 CO 0.00 0.20 1.34 -0.47 0.86 0.00 0.00 177.93 179.86 2k87 s TYR 70 N -3.83 1.47 -0.66 2.45 5.04 0.66 -4.81 117.35 117.67 2k87 s TYR 70 Ca -0.01 1.06 0.16 0.00 -2.44 0.00 0.00 57.07 55.85 2k87 s TYR 70 Cb 0.11 -3.90 0.70 0.00 0.35 0.00 0.00 41.96 39.22 2k87 s TYR 70 CO 0.62 -2.30 1.62 0.43 -1.34 0.00 0.00 175.55 174.58 2k87 n SER 71 N 14.06 4.87 0.00 4.32 7.64 -1.26 -4.93 113.62 138.32 2k87 n SER 71 Ca 0.28 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.48 2k87 n SER 71 Cb 0.52 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2k87 n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k87 n ALA 72 N 0.65 0.00 0.16 -0.43 0.00 -1.26 -4.69 120.51 114.94 2k87 n ALA 72 Ca 0.25 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.86 2k87 n ALA 72 Cb 0.97 -0.03 0.78 0.00 0.00 0.00 0.00 19.45 21.17 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 0.00 -0.26 0.00 0.02 -1.94 -2.95 113.55 108.43 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 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 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 -3.98 0.88 0.24 3.45 3.72 -1.26 -4.73 117.46 115.77 2k87 n PHE 74 Ca 0.03 -0.85 0.16 0.00 -0.05 0.00 0.00 57.45 56.74 2k87 n PHE 74 Cb 0.39 -0.29 0.85 0.00 -0.94 0.00 0.00 39.48 39.48 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 1.77 0.00 -0.66 -1.08 5.09 -1.91 -1.27 116.57 118.50 2k87 h LYS 75 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2k87 h LYS 75 Cb 1.37 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.70 2k87 h LYS 75 CO 0.20 0.00 0.00 1.63 -2.09 0.00 0.00 179.45 179.19 2k87 n LYS 76 N -3.86 3.81 0.00 0.07 5.02 -1.26 -4.78 118.16 117.16 2k87 n LYS 76 Ca -0.00 -2.40 0.00 0.00 -2.02 0.00 0.00 58.31 53.89 2k87 n LYS 76 Cb 0.24 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 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 0.61 -3.74 3.77 0.72 0.00 -0.48 -4.47 105.19 101.60 2k87 n GLY 77 Ca 0.21 -1.96 -0.10 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 -1.03 -0.56 0.05 4.61 0.00 -1.26 -3.53 121.76 120.04 2k87 s ALA 78 Ca 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 2k87 s ALA 78 Cb 0.00 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 2k87 s ALA 78 CO 0.00 -0.96 0.02 -1.59 0.00 0.00 0.00 175.76 173.22 2k87 s LYS 79 N -2.33 0.57 0.00 0.00 -2.85 -0.05 -4.25 119.74 110.83 2k87 s LYS 79 Ca 0.17 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 2k87 s LYS 79 Cb -0.05 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 2k87 s LYS 79 CO 0.13 -0.12 0.00 -0.11 0.10 0.00 0.00 175.35 175.34 2k87 n LEU 80 N 0.50 0.00 0.07 2.77 7.94 0.34 -1.92 117.00 126.70 2k87 n LEU 80 Ca -0.17 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.58 2k87 n LEU 80 Cb 0.60 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.46 2k87 n LEU 80 CO 0.25 0.00 0.55 0.25 -1.11 0.00 0.00 177.39 177.33 2k87 h LEU 81 N 0.00 -1.46 -1.27 -1.96 7.12 -1.88 -3.37 115.31 112.49 2k87 h LEU 81 Ca 0.00 0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.18 2k87 h LEU 81 Cb 0.00 0.56 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 2k87 h LEU 81 CO 0.00 -0.51 -0.17 0.00 -0.13 0.00 0.00 178.44 177.64 2k87 n HIS 82 N -5.47 0.00 -4.21 1.25 1.44 -1.26 -5.11 115.22 101.86 2k87 n HIS 82 Ca -0.07 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.44 2k87 n HIS 82 Cb 0.39 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.39 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 0.93 0.51 -1.40 1.02 -1.26 -5.15 119.74 114.39 2k87 s LYS 83 Ca 0.00 -1.05 -0.18 0.00 0.02 0.00 0.00 55.97 54.77 2k87 s LYS 83 Cb 0.00 -0.99 -0.08 0.00 -0.52 0.00 0.00 37.83 36.24 2k87 s LYS 83 CO 0.00 0.22 1.01 -1.25 -0.92 0.00 0.00 175.35 174.41 2k87 s PRO 84 N -1.90 3.82 0.26 -1.68 0.04 -1.26 -0.51 135.00 133.78 2k87 s PRO 84 Ca 0.02 1.12 0.04 0.00 0.04 0.00 0.00 61.00 62.21 2k87 s PRO 84 Cb -0.09 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 2k87 s PRO 84 CO 0.03 -0.39 0.02 0.96 0.04 0.00 0.00 177.00 177.66 2k87 s ILE 85 N -2.38 1.06 0.29 0.56 -5.25 -1.26 -1.50 121.20 112.72 2k87 s ILE 85 Ca 0.62 -2.03 0.02 0.00 -0.99 0.00 0.00 60.65 58.28 2k87 s ILE 85 Cb -0.12 -2.52 -0.04 0.00 2.95 0.00 0.00 42.46 42.73 2k87 s ILE 85 CO 0.27 -0.19 0.13 0.68 -1.79 0.00 0.00 174.94 174.05 2k87 s VAL 86 N -3.40 0.41 -0.06 8.37 -7.23 -1.09 -4.69 120.40 112.71 2k87 s VAL 86 Ca 0.32 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.30 2k87 s VAL 86 Cb 0.07 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 2k87 s VAL 86 CO 0.11 0.00 0.53 0.26 -0.31 0.00 0.00 175.10 175.69 2k87 s TRP 87 N -3.68 3.61 0.21 2.82 0.23 -1.26 -0.67 118.94 120.21 2k87 s TRP 87 Ca 0.36 1.04 0.09 0.00 -2.03 0.00 0.00 56.10 55.56 2k87 s TRP 87 Cb 0.06 -2.56 -0.04 0.00 0.03 0.00 0.00 33.47 30.96 2k87 s TRP 87 CO 0.16 0.29 -0.04 -3.38 0.96 0.00 0.00 176.95 174.94 2k87 s HIS 88 N 0.12 2.71 -0.12 -1.98 -3.43 -0.53 -4.89 115.29 107.17 2k87 s HIS 88 Ca 0.28 -0.20 -0.00 0.00 -0.80 0.00 0.00 55.06 54.34 2k87 s HIS 88 Cb -0.17 -1.27 0.02 0.00 -1.43 0.00 0.00 32.58 29.74 2k87 s HIS 88 CO 0.14 0.56 -0.09 0.42 -2.00 0.00 0.00 174.74 173.76 2k87 s ILE 89 N -1.97 1.17 -1.66 -5.38 1.01 -1.11 -1.78 121.20 111.48 2k87 s ILE 89 Ca 0.28 -0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.37 2k87 s ILE 89 Cb -0.08 -1.15 0.15 0.00 0.01 0.00 0.00 42.46 41.39 2k87 s ILE 89 CO 0.18 0.39 0.81 -0.46 0.00 0.00 0.00 174.94 175.86 2k87 n ASN 90 N 4.86 -3.57 -2.10 3.58 2.04 -1.26 -0.33 115.26 118.47 2k87 n ASN 90 Ca -0.14 -0.95 -0.19 0.00 -0.44 0.00 0.00 54.58 52.86 2k87 n ASN 90 Cb 0.50 -2.91 -0.02 0.00 -2.53 0.00 0.00 39.78 34.82 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 -4.39 -1.51 -4.24 -3.83 6.02 -1.26 -5.02 117.38 103.15 2k87 n GLN 91 Ca 0.07 0.96 -0.14 0.00 -0.01 0.00 0.00 57.00 57.89 2k87 n GLN 91 Cb 0.49 -5.49 -0.10 0.00 1.02 0.00 0.00 30.24 26.16 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 -2.93 1.37 0.25 -1.58 0.00 0.55 -4.49 121.76 114.93 2k87 s ALA 92 Ca 0.00 -1.54 0.07 0.00 0.00 0.00 0.00 51.96 50.49 2k87 s ALA 92 Cb 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 2k87 s ALA 92 CO 0.00 -0.23 0.24 -0.08 0.00 0.00 0.00 175.76 175.70 2k87 s THR 93 N -3.52 4.64 0.19 0.00 -1.32 -1.26 -2.76 115.64 111.60 2k87 s THR 93 Ca 0.20 -1.30 -0.04 0.00 -1.21 0.00 0.00 61.69 59.34 2k87 s THR 93 Cb 0.05 -3.52 -0.03 0.00 -1.51 0.00 0.00 72.50 67.49 2k87 s THR 93 CO 0.02 -0.34 0.19 0.42 -2.21 0.00 0.00 174.62 172.70 2k87 s THR 94 N -2.10 0.03 0.30 5.08 -4.23 -1.26 -4.99 115.64 108.48 2k87 s THR 94 Ca 0.33 -1.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 2k87 s THR 94 Cb -0.08 -2.24 0.29 0.00 1.34 0.00 0.00 72.50 71.81 2k87 s THR 94 CO 0.26 -0.16 1.89 0.50 -0.54 0.00 0.00 174.62 176.57 2k87 h LYS 95 N 2.60 0.95 -0.42 3.99 3.11 -2.01 0.94 116.57 125.73 2k87 h LYS 95 Ca -0.33 -0.06 0.07 0.00 -2.81 0.00 0.00 60.65 57.52 2k87 h LYS 95 Cb 1.23 -0.21 -0.06 0.00 -1.00 0.00 0.00 32.23 32.19 2k87 h LYS 95 CO 0.51 0.63 0.05 1.15 -2.81 0.00 0.00 179.45 178.97 2k87 h THR 96 N 0.98 0.73 0.00 1.00 2.02 -2.04 -2.77 112.91 112.84 2k87 h THR 96 Ca 0.43 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.55 2k87 h THR 96 Cb 0.35 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2k87 h THR 96 CO -0.18 0.03 -0.69 0.35 0.37 0.00 0.00 175.52 175.40 2k87 n THR 97 N -5.15 0.23 0.50 3.16 -2.24 -0.81 -4.43 114.28 105.54 2k87 n THR 97 Ca 0.03 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.41 2k87 n THR 97 Cb 0.21 0.03 -0.09 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.17 -0.02 4.78 3.57 -0.53 0.23 116.94 123.80 2k87 h PHE 98 Ca 0.00 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.50 2k87 h PHE 98 Cb 0.69 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 2k87 h PHE 98 CO 0.00 -0.73 -0.16 0.87 -2.23 0.00 0.00 178.31 176.06 2k87 h LYS 99 N -1.33 -0.25 -0.02 1.11 1.79 -1.77 0.14 116.57 116.24 2k87 h LYS 99 Ca -0.13 0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.29 2k87 h LYS 99 Cb 0.97 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 2k87 h LYS 99 CO 0.21 -0.17 -0.29 -1.00 -1.08 0.00 0.00 179.45 177.12 2k87 h PRO 100 N -0.26 0.03 -0.04 3.15 0.13 -1.76 -2.83 132.00 130.42 2k87 h PRO 100 Ca 0.06 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 65.04 2k87 h PRO 100 Cb 0.34 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 2k87 h PRO 100 CO -0.17 0.33 -0.60 -0.91 -0.23 0.00 0.00 178.00 176.42 2k87 h ASN 101 N 0.03 0.16 0.25 1.44 4.21 -0.07 -2.31 115.58 119.29 2k87 h ASN 101 Ca 0.00 -0.09 -0.00 0.00 1.21 0.00 0.00 56.30 57.42 2k87 h ASN 101 Cb 0.54 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.69 2k87 h ASN 101 CO 0.04 0.72 -0.01 0.00 -1.29 0.00 0.00 177.43 176.89 2k87 h THR 102 N 0.11 0.12 0.00 2.81 1.03 -0.74 0.97 112.91 117.22 2k87 h THR 102 Ca -0.01 -0.17 -0.04 0.00 -0.01 0.00 0.00 66.41 66.19 2k87 h THR 102 Cb 1.08 1.14 -0.01 0.00 -1.07 0.00 0.00 68.15 69.30 2k87 h THR 102 CO 0.09 0.01 -0.18 -0.50 -0.01 0.00 0.00 175.52 174.94 2k87 h TRP 103 N 0.00 0.00 -0.28 0.00 4.06 -1.43 -0.41 115.95 117.89 2k87 h TRP 103 Ca -0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 2k87 h TRP 103 Cb 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 2k87 h TRP 103 CO 0.00 0.18 -0.09 0.00 -3.56 0.00 0.00 178.44 174.97 2k87 h LEU 105 N 0.31 0.94 -1.82 0.00 3.38 -0.61 0.15 115.31 117.66 2k87 h LEU 105 Ca 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k87 h LEU 105 Cb 0.58 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2k87 h LEU 105 CO 0.03 0.82 0.00 0.03 0.09 0.00 0.00 178.44 179.41 2k87 h ARG 106 N 1.01 0.00 0.00 1.13 3.08 -1.17 -1.03 114.38 117.41 2k87 h ARG 106 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2k87 h ARG 106 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2k87 h ARG 106 CO -0.02 0.00 -0.50 0.00 -1.07 0.00 0.00 179.97 178.37 2k87 n LEU 108 N -2.41 0.28 -4.64 0.00 4.77 -0.43 -4.94 117.00 109.62 2k87 n LEU 108 Ca 0.03 0.11 -0.47 0.00 -0.03 0.00 0.00 56.01 55.64 2k87 n LEU 108 Cb 0.48 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2k87 n LEU 108 CO 0.36 -0.05 0.99 0.79 -1.33 0.00 0.00 177.39 178.15 2k87 n TRP 109 N -2.41 1.91 -1.98 -1.77 7.02 -0.95 -5.01 117.44 114.26 2k87 n TRP 109 Ca -0.03 0.47 -0.31 0.00 -1.02 0.00 0.00 57.50 56.60 2k87 n TRP 109 Cb 0.58 -2.43 0.00 0.00 -2.42 0.00 0.00 31.31 27.04 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 0.46 6.29 0.61 -0.99 0.15 -0.98 -4.53 113.70 114.71 2k87 s SER 110 Ca 0.75 1.46 0.04 0.00 0.70 0.00 0.00 55.95 58.90 2k87 s SER 110 Cb -0.76 -2.48 0.08 0.00 -1.71 0.00 0.00 66.02 61.16 2k87 s SER 110 CO 0.46 -0.82 0.84 0.42 1.20 0.00 0.00 173.24 175.33 2k87 s THR 111 N -3.06 2.35 0.40 6.45 -4.23 -1.26 -1.02 115.64 115.27 2k87 s THR 111 Ca 0.56 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 2k87 s THR 111 Cb -0.11 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2k87 s THR 111 CO 0.49 0.00 0.00 1.17 -0.54 0.00 0.00 174.62 175.74 2k87 n LYS 112 N -2.44 -5.38 -1.83 3.99 4.81 -1.26 -4.79 118.16 111.25 2k87 n LYS 112 Ca 0.13 3.89 -0.41 0.00 -0.87 0.00 0.00 58.31 61.05 2k87 n LYS 112 Cb 0.60 -4.29 -0.03 0.00 0.02 0.00 0.00 35.03 31.33 2k87 n LYS 112 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2k87 s PRO 113 N -2.09 2.93 -0.04 1.64 0.04 -1.26 -4.69 135.00 131.54 2k87 s PRO 113 Ca 0.00 1.43 0.08 0.00 0.04 0.00 0.00 61.00 62.55 2k87 s PRO 113 Cb 0.00 -4.35 0.15 0.00 0.04 0.00 0.00 34.50 30.35 2k87 s PRO 113 CO 0.00 -2.33 1.09 1.55 0.04 0.00 0.00 177.00 177.35 2k87 n VAL 114 N 7.57 0.04 0.30 -0.36 3.14 -1.26 -4.94 118.33 122.82 2k87 n VAL 114 Ca 0.27 -0.41 -0.18 0.00 -2.96 0.00 0.00 64.34 61.06 2k87 n VAL 114 Cb 0.49 0.69 -0.09 0.00 -1.06 0.00 0.00 33.84 33.86 2k87 n VAL 114 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2k87 h ASP 115 N 0.40 -1.24 0.00 6.55 3.58 -1.90 -3.47 116.42 120.34 2k87 h ASP 115 Ca -0.47 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.08 2k87 h ASP 115 Cb 1.51 0.40 0.00 0.00 1.72 0.00 0.00 39.33 42.96 2k87 h ASP 115 CO -0.17 -0.64 0.00 0.41 -2.88 0.00 0.00 179.24 175.96