#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 2.43 -0.30 2.03 9.36 -1.26 -4.82 117.16 124.60 2k87 n TYR 2 Ca 0.00 -0.28 0.00 0.00 3.32 0.00 0.00 57.90 60.94 2k87 n TYR 2 Cb 0.00 -2.77 0.00 0.00 -0.63 0.00 0.00 39.34 35.94 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 5.67 0.61 -2.81 2.97 -1.04 -1.26 -5.11 114.28 113.32 2k87 n THR 3 Ca 0.22 -0.66 -0.25 0.00 -2.04 0.00 0.00 64.05 61.32 2k87 n THR 3 Cb 0.39 0.73 0.01 0.00 -1.82 0.00 0.00 70.33 69.64 2k87 n THR 3 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2k87 s GLU 4 N -0.61 3.14 0.66 -2.82 2.12 -1.26 -5.05 118.70 114.87 2k87 s GLU 4 Ca 0.00 -0.23 -0.17 0.00 0.36 0.00 0.00 54.97 54.92 2k87 s GLU 4 Cb 0.00 -2.46 -0.00 0.00 0.26 0.00 0.00 34.13 31.93 2k87 s GLU 4 CO 0.00 -0.34 1.26 -0.65 -0.54 0.00 0.00 175.26 174.99 2k87 s GLN 5 N -4.68 2.50 0.66 4.30 -1.52 -1.26 -5.04 119.66 114.62 2k87 s GLN 5 Ca 0.49 1.95 -0.11 0.00 -1.95 0.00 0.00 55.36 55.75 2k87 s GLN 5 Cb -0.10 -1.85 -0.00 0.00 -0.22 0.00 0.00 33.01 30.83 2k87 s GLN 5 CO 0.41 -1.61 1.05 -1.25 -0.25 0.00 0.00 175.29 173.64 2k87 s PRO 6 N -3.50 3.12 -0.95 2.91 0.04 -1.26 -4.97 135.00 130.39 2k87 s PRO 6 Ca 0.80 0.50 -0.24 0.00 0.04 0.00 0.00 61.00 62.09 2k87 s PRO 6 Cb -0.34 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.06 2k87 s PRO 6 CO 0.40 -0.83 1.99 0.42 0.04 0.00 0.00 177.00 179.01 2k87 s ILE 7 N -3.25 3.42 -0.06 0.56 1.01 -1.26 -4.03 121.20 117.58 2k87 s ILE 7 Ca 0.56 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.78 2k87 s ILE 7 Cb -0.11 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.34 2k87 s ILE 7 CO 0.52 -0.86 0.00 0.47 0.00 0.00 0.00 174.94 175.07 2k87 n ASP 8 N 14.56 -1.03 -4.73 3.58 8.00 -1.26 -4.80 116.55 130.86 2k87 n ASP 8 Ca 0.42 0.41 -0.38 0.00 0.71 0.00 0.00 54.79 55.95 2k87 n ASP 8 Cb 0.47 -1.07 -0.06 0.00 -0.02 0.00 0.00 41.12 40.44 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 -4.61 4.31 -0.02 0.64 0.20 -1.26 -3.78 118.68 114.16 2k87 s LEU 9 Ca 0.00 0.94 -0.01 0.00 0.69 0.00 0.00 54.13 55.75 2k87 s LEU 9 Cb 0.00 -2.79 0.02 0.00 -0.43 0.00 0.00 46.19 43.00 2k87 s LEU 9 CO 0.00 0.01 0.05 0.68 -0.29 0.00 0.00 176.35 176.80 2k87 s VAL 10 N 0.45 -0.04 1.01 1.68 -7.23 -0.88 -4.99 120.40 110.40 2k87 s VAL 10 Ca 0.29 0.16 -0.12 0.00 -1.81 0.00 0.00 61.98 60.50 2k87 s VAL 10 Cb -0.16 -0.10 0.20 0.00 0.56 0.00 0.00 36.38 36.88 2k87 s VAL 10 CO 0.13 0.07 1.08 -2.84 -0.31 0.00 0.00 175.10 173.23 2k87 s PRO 11 N 0.83 0.26 0.04 4.82 0.02 -1.26 -0.86 135.00 138.85 2k87 s PRO 11 Ca -0.07 1.08 -0.01 0.00 0.02 0.00 0.00 61.00 62.02 2k87 s PRO 11 Cb -0.10 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.75 2k87 s PRO 11 CO -0.03 -3.00 0.07 -2.37 -0.33 0.00 0.00 177.00 171.35 2k87 n THR 12 N -4.44 0.00 -3.82 0.99 5.66 -1.00 -4.59 114.28 107.08 2k87 n THR 12 Ca 0.07 -0.17 -0.09 0.00 -3.05 0.00 0.00 64.05 60.80 2k87 n THR 12 Cb 0.54 0.12 -0.06 0.00 -1.55 0.00 0.00 70.33 69.38 2k87 n THR 12 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2k87 s GLN 13 N -2.06 0.99 0.51 1.09 -0.21 -1.26 -3.78 119.66 114.93 2k87 s GLN 13 Ca 0.03 -0.94 -0.20 0.00 0.02 0.00 0.00 55.36 54.27 2k87 s GLN 13 Cb -0.00 0.39 -0.07 0.00 1.00 0.00 0.00 33.01 34.32 2k87 s GLN 13 CO 0.02 -0.35 1.08 -1.25 -2.12 0.00 0.00 175.29 172.67 2k87 s PRO 14 N -3.87 3.61 0.50 2.91 0.04 -1.26 -4.94 135.00 131.99 2k87 s PRO 14 Ca 0.07 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 2k87 s PRO 14 Cb 0.03 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2k87 s PRO 14 CO -0.09 -0.61 0.82 -0.48 0.04 0.00 0.00 177.00 176.68 2k87 s LEU 15 N -3.61 3.56 0.52 -3.56 0.05 -1.26 -5.03 118.68 109.34 2k87 s LEU 15 Ca 0.70 0.99 -0.16 0.00 0.05 0.00 0.00 54.13 55.70 2k87 s LEU 15 Cb -0.20 -3.95 -0.08 0.00 -2.05 0.00 0.00 46.19 39.92 2k87 s LEU 15 CO 0.23 -0.63 0.99 -2.16 -0.55 0.00 0.00 176.35 174.22 2k87 s PRO 16 N -4.81 3.94 0.00 1.48 0.04 -1.26 -3.34 135.00 131.05 2k87 s PRO 16 Ca 0.49 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2k87 s PRO 16 Cb -0.10 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2k87 s PRO 16 CO 0.46 -0.28 0.00 0.09 0.04 0.00 0.00 177.00 177.31 2k87 n ASN 17 N -1.62 0.00 -4.56 6.66 3.02 -1.26 -4.93 115.26 112.57 2k87 n ASN 17 Ca 0.07 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.15 2k87 n ASN 17 Cb 0.54 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.54 -0.75 -3.19 5.41 0.00 -1.21 -4.30 120.51 117.01 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 -1.96 -0.06 0.00 0.00 0.00 0.00 19.45 17.43 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 -0.50 -0.31 0.93 0.00 1.04 -1.25 -4.74 113.70 108.87 2k87 s SER 19 Ca 0.63 0.04 -0.11 0.00 0.48 0.00 0.00 55.95 56.99 2k87 s SER 19 Cb -0.77 0.43 0.15 0.00 0.10 0.00 0.00 66.02 65.94 2k87 s SER 19 CO 0.58 -0.67 1.12 0.12 0.98 0.00 0.00 173.24 175.36 2k87 s PHE 20 N -2.42 1.77 0.23 5.02 5.36 -1.26 -2.12 117.98 124.56 2k87 s PHE 20 Ca -0.06 1.62 -0.18 0.00 -0.96 0.00 0.00 56.93 57.36 2k87 s PHE 20 Cb -0.01 -3.25 0.02 0.00 -0.34 0.00 0.00 43.02 39.44 2k87 s PHE 20 CO -0.02 -2.80 0.58 0.34 -1.46 0.00 0.00 175.22 171.86 2k87 s ASP 21 N -2.81 -0.24 0.00 6.13 2.15 -1.26 -4.32 116.67 116.32 2k87 s ASP 21 Ca 0.66 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 53.03 2k87 s ASP 21 Cb -0.22 0.63 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 2k87 s ASP 21 CO 0.59 -1.17 0.23 0.59 -0.17 0.00 0.00 175.17 175.24 2k87 n ASN 22 N -0.39 0.51 -4.74 -0.34 4.13 -1.26 -4.81 115.26 108.35 2k87 n ASN 22 Ca -0.06 -0.80 -0.41 0.00 1.68 0.00 0.00 54.58 54.98 2k87 n ASN 22 Cb 0.61 -0.20 -0.03 0.00 -1.54 0.00 0.00 39.78 38.63 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 -0.79 3.12 0.28 3.10 -0.12 -1.26 -0.42 117.98 121.89 2k87 s PHE 23 Ca 0.00 1.13 0.02 0.00 -0.05 0.00 0.00 56.93 58.04 2k87 s PHE 23 Cb 0.00 -3.72 -0.03 0.00 -0.63 0.00 0.00 43.02 38.64 2k87 s PHE 23 CO 0.00 -2.28 0.44 0.21 -0.05 0.00 0.00 175.22 173.54 2k87 s LYS 24 N -0.37 3.47 0.25 1.99 2.20 0.07 -4.90 119.74 122.45 2k87 s LYS 24 Ca 0.57 -0.52 0.11 0.00 -0.36 0.00 0.00 55.97 55.77 2k87 s LYS 24 Cb -0.39 -2.79 -0.05 0.00 -1.51 0.00 0.00 37.83 33.09 2k87 s LYS 24 CO 0.42 0.31 -0.20 -0.48 -0.36 0.00 0.00 175.35 175.04 2k87 s LEU 25 N -4.03 2.56 -0.01 5.43 0.05 -1.26 -1.09 118.68 120.32 2k87 s LEU 25 Ca 0.37 -1.00 -0.01 0.00 0.05 0.00 0.00 54.13 53.54 2k87 s LEU 25 Cb -0.10 -1.04 0.00 0.00 -2.05 0.00 0.00 46.19 43.01 2k87 s LEU 25 CO 0.32 0.02 0.04 0.42 -0.55 0.00 0.00 176.35 176.60 2k87 s THR 26 N -2.43 -0.00 0.11 5.48 -4.23 0.76 -4.83 115.64 110.50 2k87 s THR 26 Ca 0.27 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.62 2k87 s THR 26 Cb -0.05 -0.06 0.03 0.00 1.34 0.00 0.00 72.50 73.76 2k87 s THR 26 CO 0.13 0.00 0.39 0.00 -0.54 0.00 0.00 174.62 174.59 2k87 h SER 28 N 2.50 0.52 -3.70 0.00 4.64 -2.02 -3.30 113.55 112.20 2k87 h SER 28 Ca -0.34 0.04 -0.57 0.00 -0.47 0.00 0.00 61.79 60.46 2k87 h SER 28 Cb 1.24 -0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 63.20 2k87 h SER 28 CO 0.47 0.33 0.86 0.21 -0.87 0.00 0.00 176.83 177.83 2k87 s ASN 29 N -5.57 6.60 0.11 4.97 3.84 -1.26 -4.94 114.94 118.69 2k87 s ASN 29 Ca -0.13 0.39 -0.19 0.00 0.21 0.00 0.00 52.86 53.13 2k87 s ASN 29 Cb 0.17 -2.53 -0.07 0.00 -0.55 0.00 0.00 41.25 38.27 2k87 s ASN 29 CO 0.76 -1.23 1.72 0.71 -2.79 0.00 0.00 177.10 176.28 2k87 h THR 30 N 6.21 1.10 -0.86 -5.21 1.35 -1.94 -2.96 112.91 110.59 2k87 h THR 30 Ca -0.23 -0.26 0.18 0.00 -0.55 0.00 0.00 66.41 65.54 2k87 h THR 30 Cb 1.06 0.87 -0.11 0.00 -1.73 0.00 0.00 68.15 68.25 2k87 h THR 30 CO 1.11 0.10 0.41 0.50 -0.25 0.00 0.00 175.52 177.39 2k87 h LYS 31 N 0.26 0.51 0.30 4.72 1.63 -1.92 0.22 116.57 122.29 2k87 h LYS 31 Ca 0.08 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2k87 h LYS 31 Cb 0.05 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 2k87 h LYS 31 CO -0.01 0.33 -0.35 0.35 -3.45 0.00 0.00 179.45 176.32 2k87 h PHE 32 N 0.52 -0.94 -0.08 1.91 3.57 -1.67 -0.84 116.94 119.42 2k87 h PHE 32 Ca 0.50 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.93 2k87 h PHE 32 Cb 0.82 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 2k87 h PHE 32 CO -0.11 -0.48 -0.33 0.00 -2.23 0.00 0.00 178.31 175.15 2k87 h ALA 33 N -0.18 1.31 0.51 2.41 0.00 -1.42 -2.99 119.26 118.90 2k87 h ALA 33 Ca -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2k87 h ALA 33 Cb 0.64 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2k87 h ALA 33 CO -0.09 0.49 -0.25 0.22 0.00 0.00 0.00 179.25 179.62 2k87 h ASP 34 N 0.13 -0.58 -0.25 0.00 3.58 -0.09 0.60 116.42 119.82 2k87 h ASP 34 Ca 0.02 -0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 2k87 h ASP 34 Cb 0.65 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 2k87 h ASP 34 CO 0.05 -0.33 -0.11 -0.78 -2.88 0.00 0.00 179.24 175.19 2k87 h ASP 35 N -0.80 0.62 -0.21 2.28 1.82 -1.20 0.18 116.42 119.11 2k87 h ASP 35 Ca -0.07 -0.17 -0.02 0.00 -0.39 0.00 0.00 57.03 56.38 2k87 h ASP 35 Cb 0.58 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 2k87 h ASP 35 CO 0.12 0.77 0.07 -0.07 -1.61 0.00 0.00 179.24 178.51 2k87 h LEU 36 N 0.59 0.31 -1.35 2.28 4.07 -1.50 -1.55 115.31 118.16 2k87 h LEU 36 Ca 0.11 -0.20 -0.05 0.00 0.08 0.00 0.00 57.88 57.82 2k87 h LEU 36 Cb 0.53 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 2k87 h LEU 36 CO 0.03 0.42 -0.07 0.78 -1.08 0.00 0.00 178.44 178.53 2k87 h ASN 37 N 0.17 0.33 -0.11 -0.43 2.35 -0.14 -2.63 115.58 115.12 2k87 h ASN 37 Ca 0.07 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2k87 h ASN 37 Cb 0.23 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 2k87 h ASN 37 CO -0.00 0.44 -0.00 1.56 -1.65 0.00 0.00 177.43 177.78 2k87 h GLN 38 N 0.33 0.19 -0.31 0.81 1.08 -0.52 -1.73 115.11 114.96 2k87 h GLN 38 Ca 0.07 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 2k87 h GLN 38 Cb 0.34 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.70 2k87 h GLN 38 CO 0.02 0.44 -0.04 0.52 -0.95 0.00 0.00 178.83 178.82 2k87 h MET 39 N -0.09 0.04 0.00 1.46 2.86 -0.98 -2.51 114.93 115.72 2k87 h MET 39 Ca 0.03 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 2k87 h MET 39 Cb 0.36 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2k87 h MET 39 CO 0.01 0.03 -0.39 1.79 1.06 0.00 0.00 176.91 179.40 2k87 h THR 40 N 0.05 1.08 0.00 2.22 1.35 -1.44 -3.47 112.91 112.69 2k87 h THR 40 Ca 0.15 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 2k87 h THR 40 Cb 0.22 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2k87 h THR 40 CO -0.28 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 2k87 n GLY 41 N -0.11 0.95 3.60 5.82 0.00 -0.73 -5.04 105.19 109.69 2k87 n GLY 41 Ca -0.01 -0.04 -0.53 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.08 1.54 -4.55 1.61 7.35 -0.75 -5.01 117.46 115.55 2k87 n PHE 42 Ca 0.00 0.65 -0.24 0.00 -0.76 0.00 0.00 57.45 57.11 2k87 n PHE 42 Cb 0.00 -2.33 -0.14 0.00 0.35 0.00 0.00 39.48 37.36 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 0.90 1.46 0.62 -2.13 2.01 -1.26 -4.95 115.64 112.29 2k87 s THR 43 Ca 0.87 -1.10 -0.09 0.00 0.31 0.00 0.00 61.69 61.68 2k87 s THR 43 Cb -0.99 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 2k87 s THR 43 CO 0.50 0.15 0.98 -0.54 -0.69 0.00 0.00 174.62 175.02 2k87 s LYS 44 N -1.11 3.15 0.14 4.92 1.02 -1.26 -4.18 119.74 122.42 2k87 s LYS 44 Ca 0.05 0.35 -0.30 0.00 0.02 0.00 0.00 55.97 56.09 2k87 s LYS 44 Cb -0.08 -2.16 -0.07 0.00 -0.52 0.00 0.00 37.83 34.99 2k87 s LYS 44 CO 0.01 -0.71 1.19 -1.25 -0.92 0.00 0.00 175.35 173.68 2k87 s PRO 45 N -5.12 4.48 0.14 -1.68 0.04 -1.26 -5.11 135.00 126.49 2k87 s PRO 45 Ca 0.55 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 2k87 s PRO 45 Cb -0.11 -3.28 -0.08 0.00 0.04 0.00 0.00 34.50 31.08 2k87 s PRO 45 CO 0.49 -0.12 1.28 0.00 0.04 0.00 0.00 177.00 178.69 2k87 s ALA 46 N 0.29 3.49 -0.24 8.56 0.00 -1.26 -4.90 121.76 127.69 2k87 s ALA 46 Ca 0.54 1.01 0.28 0.00 0.00 0.00 0.00 51.96 53.80 2k87 s ALA 46 Cb -0.31 -3.47 0.95 0.00 0.00 0.00 0.00 23.12 20.29 2k87 s ALA 46 CO 0.34 -0.49 1.81 1.03 0.00 0.00 0.00 175.76 178.45 2k87 h SER 47 N 6.08 0.00 -5.04 0.00 0.87 -1.09 -3.45 113.55 110.92 2k87 h SER 47 Ca -0.43 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 2k87 h SER 47 Cb 1.21 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.07 2k87 h SER 47 CO 0.80 0.00 0.10 0.00 -0.53 0.00 0.00 176.83 177.20 2k87 s ARG 48 N -3.42 1.34 -0.35 2.24 1.70 -1.25 -4.97 118.95 114.24 2k87 s ARG 48 Ca 0.04 -0.71 -0.00 0.00 -0.47 0.00 0.00 55.73 54.59 2k87 s ARG 48 Cb 0.08 0.55 0.13 0.00 -0.57 0.00 0.00 34.95 35.14 2k87 s ARG 48 CO 0.56 -0.58 0.19 -1.21 -1.08 0.00 0.00 175.30 173.18 2k87 s GLU 49 N -3.82 0.68 0.04 3.89 2.02 -1.25 -0.75 118.70 119.51 2k87 s GLU 49 Ca 0.05 -1.30 -0.28 0.00 0.02 0.00 0.00 54.97 53.47 2k87 s GLU 49 Cb -0.01 -1.61 -0.05 0.00 0.10 0.00 0.00 34.13 32.56 2k87 s GLU 49 CO -0.07 -1.13 0.87 -0.51 0.02 0.00 0.00 175.26 174.44 2k87 s LEU 50 N 1.17 4.43 -0.19 1.80 2.01 -0.25 -4.81 118.68 122.85 2k87 s LEU 50 Ca 0.15 1.58 -0.15 0.00 0.01 0.00 0.00 54.13 55.73 2k87 s LEU 50 Cb -0.21 -3.41 -0.04 0.00 0.01 0.00 0.00 46.19 42.54 2k87 s LEU 50 CO -0.10 -0.09 0.33 -0.44 1.01 0.00 0.00 176.35 177.07 2k87 s SER 51 N 0.28 6.41 0.08 2.29 0.01 -1.26 -0.17 113.70 121.34 2k87 s SER 51 Ca 0.44 0.47 -0.11 0.00 1.31 0.00 0.00 55.95 58.07 2k87 s SER 51 Cb -0.21 -2.20 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 2k87 s SER 51 CO 0.26 0.01 0.42 -0.69 0.41 0.00 0.00 173.24 173.65 2k87 s VAL 52 N 0.94 5.05 0.05 3.43 1.01 -0.26 -1.52 120.40 129.09 2k87 s VAL 52 Ca 0.17 0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.74 2k87 s VAL 52 Cb -0.14 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2k87 s VAL 52 CO 0.06 0.31 -0.13 0.42 0.00 0.00 0.00 175.10 175.76 2k87 s THR 53 N -1.37 1.01 -0.16 3.92 -4.23 -0.43 -4.63 115.64 109.74 2k87 s THR 53 Ca 0.33 -1.06 -0.05 0.00 -1.18 0.00 0.00 61.69 59.73 2k87 s THR 53 Cb -0.14 -0.95 -0.03 0.00 1.34 0.00 0.00 72.50 72.72 2k87 s THR 53 CO 0.18 -0.10 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.78 2k87 s PHE 54 N -1.00 3.09 0.67 3.99 0.08 -1.16 -0.13 117.98 123.51 2k87 s PHE 54 Ca -0.01 -0.18 -0.17 0.00 0.12 0.00 0.00 56.93 56.69 2k87 s PHE 54 Cb -0.08 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 2k87 s PHE 54 CO 0.01 0.03 0.70 0.34 -0.10 0.00 0.00 175.22 176.20 2k87 n PHE 55 N 3.50 -0.18 1.22 0.36 7.35 -0.85 -0.43 117.46 128.44 2k87 n PHE 55 Ca -0.17 0.39 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 2k87 n PHE 55 Cb 0.52 -2.00 0.00 0.00 0.35 0.00 0.00 39.48 38.36 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 -0.87 0.82 -1.92 -7.13 -0.04 -1.26 -5.02 135.00 119.59 2k87 n PRO 56 Ca 0.12 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 2k87 n PRO 56 Cb 0.49 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.71 2k87 n PRO 56 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2k87 s ASP 57 N -0.66 6.27 -0.03 3.54 -1.08 0.43 -4.79 116.67 120.34 2k87 s ASP 57 Ca 0.00 1.96 0.10 0.00 -0.52 0.00 0.00 52.55 54.09 2k87 s ASP 57 Cb 0.00 -2.53 0.18 0.00 -1.46 0.00 0.00 42.92 39.11 2k87 s ASP 57 CO 0.00 -1.29 1.08 0.00 0.52 0.00 0.00 175.17 175.48 2k87 n LEU 58 N 8.65 0.79 -0.10 -1.34 -0.00 -1.26 -2.99 117.00 120.74 2k87 n LEU 58 Ca 0.21 -1.76 -0.09 0.00 -0.00 0.00 0.00 56.01 54.36 2k87 n LEU 58 Cb 0.44 -0.10 0.06 0.00 -0.00 0.00 0.00 43.42 43.81 2k87 n LEU 58 CO 0.65 0.46 0.67 0.78 -0.00 0.00 0.00 177.39 179.95 2k87 h ASN 59 N 0.31 0.85 -3.85 1.45 2.35 -1.89 -3.47 115.58 111.32 2k87 h ASN 59 Ca -0.06 -0.33 -0.44 0.00 -0.55 0.00 0.00 56.30 54.93 2k87 h ASN 59 Cb 1.43 -0.24 0.16 0.00 0.05 0.00 0.00 38.32 39.73 2k87 h ASN 59 CO 0.02 1.06 0.23 -0.83 -1.65 0.00 0.00 177.43 176.26 2k87 s GLY 60 N -3.84 1.60 0.58 2.83 0.00 -1.26 -4.91 107.32 102.31 2k87 s GLY 60 Ca -0.10 -0.72 0.31 0.00 0.00 0.00 0.00 44.72 44.21 2k87 s GLY 60 CO 0.85 -0.00 2.20 -1.80 0.00 0.00 0.00 173.10 174.35 2k87 h ASP 61 N -2.01 0.00 -4.36 1.64 3.58 -1.63 -3.41 116.42 110.23 2k87 h ASP 61 Ca -0.49 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 56.56 2k87 h ASP 61 Cb 1.31 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 42.11 2k87 h ASP 61 CO 0.48 0.04 -0.78 -0.69 -2.88 0.00 0.00 179.24 175.42 2k87 s VAL 62 N -4.38 0.95 0.36 2.25 1.01 -0.58 -4.58 120.40 115.43 2k87 s VAL 62 Ca -0.04 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.08 2k87 s VAL 62 Cb 0.14 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.58 2k87 s VAL 62 CO 0.54 -0.06 0.02 -0.69 0.00 0.00 0.00 175.10 174.91 2k87 s VAL 63 N -0.88 2.47 0.00 2.92 1.01 -0.56 -1.32 120.40 124.05 2k87 s VAL 63 Ca -0.00 -1.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.00 2k87 s VAL 63 Cb -0.08 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 2k87 s VAL 63 CO 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 175.10 174.95 2k87 s ALA 64 N -2.56 0.01 -0.01 5.51 0.00 0.81 -2.30 121.76 123.22 2k87 s ALA 64 Ca 0.35 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.25 2k87 s ALA 64 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 2k87 s ALA 64 CO 0.19 -0.04 -0.15 0.42 0.00 0.00 0.00 175.76 176.19 2k87 s ILE 65 N -0.29 1.15 0.37 0.00 -1.09 0.35 -2.02 121.20 119.67 2k87 s ILE 65 Ca -0.03 -0.63 -0.26 0.00 -2.23 0.00 0.00 60.65 57.50 2k87 s ILE 65 Cb -0.02 -0.96 -0.09 0.00 -1.58 0.00 0.00 42.46 39.81 2k87 s ILE 65 CO -0.00 0.32 1.19 1.51 -1.23 0.00 0.00 174.94 176.73 2k87 s ASP 66 N -0.35 6.64 0.66 3.58 -4.77 -1.26 -2.15 116.67 119.01 2k87 s ASP 66 Ca 0.06 2.41 0.41 0.00 -3.30 0.00 0.00 52.55 52.13 2k87 s ASP 66 Cb -0.06 -2.62 2.25 0.00 -1.09 0.00 0.00 42.92 41.41 2k87 s ASP 66 CO -0.01 -0.60 2.30 0.22 0.70 0.00 0.00 175.17 177.79 2k87 h TYR 67 N 2.90 0.00 -0.24 2.11 5.03 -1.92 -2.39 116.97 122.46 2k87 h TYR 67 Ca -0.49 0.00 0.07 0.00 2.58 0.00 0.00 58.73 60.90 2k87 h TYR 67 Cb 1.23 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.50 2k87 h TYR 67 CO 0.55 0.00 0.44 0.07 -1.32 0.00 0.00 178.16 177.91 2k87 h ARG 68 N 0.00 0.00 -0.13 1.82 0.11 -1.92 0.23 114.38 114.49 2k87 h ARG 68 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k87 h ARG 68 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 2k87 h ARG 68 CO -0.00 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.79 2k87 n HIS 69 N -3.31 0.16 -1.41 4.08 8.25 -0.90 -4.71 115.22 117.38 2k87 n HIS 69 Ca 0.04 -0.08 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 2k87 n HIS 69 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 2k87 n HIS 69 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2k87 n TYR 70 N 0.55 2.62 -2.33 4.41 9.36 0.07 -4.93 117.16 126.91 2k87 n TYR 70 Ca 0.17 -2.34 -0.35 0.00 3.32 0.00 0.00 57.90 58.70 2k87 n TYR 70 Cb 0.41 -2.09 -0.01 0.00 -0.63 0.00 0.00 39.34 37.02 2k87 n TYR 70 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2k87 s SER 71 N 4.16 5.89 0.09 2.98 0.01 -1.26 -4.94 113.70 120.63 2k87 s SER 71 Ca 0.53 2.12 0.12 0.00 1.31 0.00 0.00 55.95 60.02 2k87 s SER 71 Cb 0.14 -2.58 0.55 0.00 0.21 0.00 0.00 66.02 64.35 2k87 s SER 71 CO 0.02 -1.10 1.38 0.00 0.41 0.00 0.00 173.24 173.95 2k87 n ALA 72 N -1.20 1.36 -0.18 1.44 0.00 -1.26 -1.19 120.51 119.48 2k87 n ALA 72 Ca 0.11 0.02 0.22 0.00 0.00 0.00 0.00 53.44 53.79 2k87 n ALA 72 Cb 0.51 -1.19 0.60 0.00 0.00 0.00 0.00 19.45 19.37 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 0.22 -0.54 0.00 0.02 -1.97 -2.22 113.55 109.06 2k87 h SER 73 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2k87 h SER 73 Cb 0.15 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2k87 h SER 73 CO 0.00 0.09 0.00 0.49 -1.14 0.00 0.00 176.83 176.27 2k87 n PHE 74 N -4.42 0.74 0.27 3.45 3.72 -0.33 -4.54 117.46 116.35 2k87 n PHE 74 Ca 0.17 -0.37 0.11 0.00 -0.05 0.00 0.00 57.45 57.32 2k87 n PHE 74 Cb 0.74 -0.00 0.76 0.00 -0.94 0.00 0.00 39.48 40.04 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 3.18 0.00 -0.62 -1.08 2.10 -1.57 -1.03 116.57 117.55 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 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2k87 h LYS 75 CO 0.00 0.04 0.00 1.63 -2.00 0.00 0.00 179.45 179.13 2k87 n LYS 76 N -4.07 2.52 0.00 0.07 5.02 -1.26 -4.83 118.16 115.61 2k87 n LYS 76 Ca -0.03 -2.36 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 2k87 n LYS 76 Cb 0.13 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 2k87 n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k87 n GLY 77 N 1.55 3.34 3.54 0.72 0.00 -0.39 -4.36 105.19 109.59 2k87 n GLY 77 Ca 0.22 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.82 -0.33 0.07 4.61 0.00 -1.26 -2.39 121.76 119.64 2k87 s ALA 78 Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 2k87 s ALA 78 Cb 0.00 1.00 -0.03 0.00 0.00 0.00 0.00 23.12 24.09 2k87 s ALA 78 CO 0.00 -0.81 0.04 -1.59 0.00 0.00 0.00 175.76 173.40 2k87 s LYS 79 N -3.98 0.70 0.00 0.00 -2.85 -0.04 -3.58 119.74 109.99 2k87 s LYS 79 Ca 0.19 -1.15 0.00 0.00 -1.00 0.00 0.00 55.97 54.01 2k87 s LYS 79 Cb -0.00 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 2k87 s LYS 79 CO 0.05 -0.17 0.00 -0.11 0.10 0.00 0.00 175.35 175.23 2k87 n LEU 80 N 0.05 0.00 -0.17 2.77 0.00 0.61 -2.06 117.00 118.19 2k87 n LEU 80 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.74 2k87 n LEU 80 Cb 0.62 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.94 2k87 n LEU 80 CO 0.26 0.00 0.50 0.25 0.00 0.00 0.00 177.39 178.40 2k87 h LEU 81 N 0.00 -1.88 -1.25 -1.96 6.46 -1.88 -3.37 115.31 111.43 2k87 h LEU 81 Ca 0.00 0.25 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2k87 h LEU 81 Cb 0.00 0.78 0.00 0.00 -0.73 0.00 0.00 40.66 40.71 2k87 h LEU 81 CO 0.00 -0.38 -0.19 0.00 -0.62 0.00 0.00 178.44 177.25 2k87 n HIS 82 N -5.32 0.00 -4.41 1.25 1.44 -1.26 -5.08 115.22 101.84 2k87 n HIS 82 Ca -0.03 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.41 2k87 n HIS 82 Cb 0.33 0.03 -0.12 0.00 0.12 0.00 0.00 29.99 30.35 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 1.51 0.66 -1.40 1.02 -1.26 -5.14 119.74 115.13 2k87 s LYS 83 Ca 0.00 -1.47 -0.14 0.00 0.02 0.00 0.00 55.97 54.38 2k87 s LYS 83 Cb 0.00 -1.87 -0.00 0.00 -0.52 0.00 0.00 37.83 35.44 2k87 s LYS 83 CO 0.00 0.41 1.08 -1.25 -0.92 0.00 0.00 175.35 174.67 2k87 s PRO 84 N -2.52 2.94 0.16 -1.68 0.04 -1.26 -0.29 135.00 132.39 2k87 s PRO 84 Ca 0.19 1.18 0.05 0.00 0.04 0.00 0.00 61.00 62.46 2k87 s PRO 84 Cb -0.08 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2k87 s PRO 84 CO 0.09 -1.11 -0.10 0.96 0.04 0.00 0.00 177.00 176.88 2k87 s ILE 85 N -2.64 1.23 0.03 0.56 -5.25 -1.23 -1.50 121.20 112.40 2k87 s ILE 85 Ca 0.63 -2.08 0.01 0.00 -0.99 0.00 0.00 60.65 58.21 2k87 s ILE 85 Cb -0.17 -1.90 -0.02 0.00 2.95 0.00 0.00 42.46 43.32 2k87 s ILE 85 CO 0.45 -0.70 -0.05 0.68 -1.79 0.00 0.00 174.94 173.53 2k87 s VAL 86 N -3.29 0.26 -0.30 8.37 -7.23 -0.97 -4.76 120.40 112.48 2k87 s VAL 86 Ca 0.18 -1.02 -0.28 0.00 -1.81 0.00 0.00 61.98 59.05 2k87 s VAL 86 Cb 0.02 -0.45 0.01 0.00 0.56 0.00 0.00 36.38 36.52 2k87 s VAL 86 CO 0.02 -0.49 1.01 0.26 -0.31 0.00 0.00 175.10 175.58 2k87 s TRP 87 N -1.59 3.20 0.07 2.82 0.52 -1.26 -0.50 118.94 122.21 2k87 s TRP 87 Ca -0.13 1.17 0.09 0.00 0.02 0.00 0.00 56.10 57.26 2k87 s TRP 87 Cb -0.09 -3.50 -0.03 0.00 -1.15 0.00 0.00 33.47 28.69 2k87 s TRP 87 CO -0.01 -0.66 -0.22 -3.38 0.02 0.00 0.00 176.95 172.70 2k87 s HIS 88 N 3.41 2.46 -0.22 -1.98 -3.43 -0.91 -4.82 115.29 109.80 2k87 s HIS 88 Ca 0.42 -0.32 -0.01 0.00 -0.80 0.00 0.00 55.06 54.35 2k87 s HIS 88 Cb -0.13 -1.39 0.06 0.00 -1.43 0.00 0.00 32.58 29.69 2k87 s HIS 88 CO 0.13 0.26 0.02 0.42 -2.00 0.00 0.00 174.74 173.56 2k87 s ILE 89 N -0.96 0.88 -1.18 -5.38 1.01 -0.37 -3.20 121.20 112.00 2k87 s ILE 89 Ca 0.14 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 2k87 s ILE 89 Cb -0.10 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.02 2k87 s ILE 89 CO 0.05 -0.23 0.18 0.59 0.00 0.00 0.00 174.94 175.53 2k87 n ASN 90 N 4.91 -4.56 -1.67 3.58 5.03 -1.26 -0.02 115.26 121.27 2k87 n ASN 90 Ca -0.09 -0.09 -0.21 0.00 0.87 0.00 0.00 54.58 55.06 2k87 n ASN 90 Cb 0.46 -3.59 -0.08 0.00 -1.02 0.00 0.00 39.78 35.54 2k87 n ASN 90 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k87 n GLN 91 N -2.66 -1.45 -4.38 3.52 1.13 -1.26 -4.99 117.38 107.28 2k87 n GLN 91 Ca -0.13 1.20 -0.24 0.00 -1.94 0.00 0.00 57.00 55.88 2k87 n GLN 91 Cb 0.61 -5.60 -0.09 0.00 0.11 0.00 0.00 30.24 25.27 2k87 n GLN 91 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k87 s ALA 92 N -2.79 2.88 0.14 -1.58 0.00 0.97 -4.10 121.76 117.27 2k87 s ALA 92 Ca 0.00 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.24 2k87 s ALA 92 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 2k87 s ALA 92 CO 0.00 0.32 0.29 -0.08 0.00 0.00 0.00 175.76 176.29 2k87 s THR 93 N -2.25 5.31 0.18 0.00 -1.32 -1.26 -1.24 115.64 115.06 2k87 s THR 93 Ca 0.29 -0.53 -0.01 0.00 -1.21 0.00 0.00 61.69 60.22 2k87 s THR 93 Cb -0.06 -3.71 -0.04 0.00 -1.51 0.00 0.00 72.50 67.18 2k87 s THR 93 CO 0.16 -0.05 0.12 0.42 -2.21 0.00 0.00 174.62 173.06 2k87 s THR 94 N -1.71 0.03 0.46 5.08 -4.23 -1.26 -4.97 115.64 109.04 2k87 s THR 94 Ca 0.36 -1.96 0.13 0.00 -1.18 0.00 0.00 61.69 59.04 2k87 s THR 94 Cb -0.11 -2.36 0.29 0.00 1.34 0.00 0.00 72.50 71.66 2k87 s THR 94 CO 0.28 -0.13 2.07 0.11 -0.54 0.00 0.00 174.62 176.41 2k87 h LYS 95 N 2.68 0.28 -0.24 3.99 1.79 -2.00 0.24 116.57 123.31 2k87 h LYS 95 Ca -0.36 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.09 2k87 h LYS 95 Cb 1.24 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 2k87 h LYS 95 CO 0.54 0.19 0.12 1.15 -1.08 0.00 0.00 179.45 180.37 2k87 h THR 96 N 0.29 1.14 -0.01 -0.16 2.02 -2.03 -3.25 112.91 110.90 2k87 h THR 96 Ca 0.13 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2k87 h THR 96 Cb 0.15 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2k87 h THR 96 CO -0.03 0.14 -0.30 0.35 0.37 0.00 0.00 175.52 176.05 2k87 n THR 97 N -4.83 0.00 0.21 3.16 -2.24 -0.48 -4.11 114.28 105.99 2k87 n THR 97 Ca -0.03 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 2k87 n THR 97 Cb 0.09 0.63 -0.07 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.62 -0.53 -0.66 4.78 3.57 -0.61 -2.59 116.94 122.53 2k87 h PHE 98 Ca 0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2k87 h PHE 98 Cb 0.58 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 2k87 h PHE 98 CO 0.00 -0.20 0.32 0.87 -2.23 0.00 0.00 178.31 177.07 2k87 h LYS 99 N -0.95 0.55 0.00 1.11 1.79 -1.71 0.10 116.57 117.45 2k87 h LYS 99 Ca -0.06 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.26 2k87 h LYS 99 Cb 0.56 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 2k87 h LYS 99 CO 0.10 0.36 -0.59 -1.00 -1.08 0.00 0.00 179.45 177.24 2k87 h PRO 100 N 0.56 0.00 0.00 3.15 0.13 -1.77 -3.19 132.00 130.88 2k87 h PRO 100 Ca 0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.43 2k87 h PRO 100 Cb 0.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 2k87 h PRO 100 CO -0.25 0.59 -0.07 -0.91 -0.23 0.00 0.00 178.00 177.12 2k87 h ASN 101 N 0.00 0.00 -0.91 1.44 2.35 -0.41 -2.42 115.58 115.62 2k87 h ASN 101 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2k87 h ASN 101 Cb 1.15 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.48 2k87 h ASN 101 CO 0.08 0.07 0.55 0.71 -1.65 0.00 0.00 177.43 177.19 2k87 h THR 102 N 0.00 1.25 -0.19 2.81 1.35 -1.28 -2.55 112.91 114.30 2k87 h THR 102 Ca -0.00 -0.54 -0.10 0.00 -0.55 0.00 0.00 66.41 65.22 2k87 h THR 102 Cb 0.15 -0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.51 2k87 h THR 102 CO 0.01 0.26 -0.31 -0.50 -0.25 0.00 0.00 175.52 174.73 2k87 h TRP 103 N 1.25 0.43 -0.50 4.73 4.06 -1.60 -1.40 115.95 122.92 2k87 h TRP 103 Ca 0.33 -0.10 0.00 0.00 2.06 0.00 0.00 58.89 61.18 2k87 h TRP 103 Cb -0.06 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 2k87 h TRP 103 CO 0.00 0.65 0.32 0.00 -3.56 0.00 0.00 178.44 175.85 2k87 h LEU 105 N 0.67 0.71 -2.24 0.00 3.38 -0.94 0.22 115.31 117.12 2k87 h LEU 105 Ca 0.18 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2k87 h LEU 105 Cb -0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2k87 h LEU 105 CO -0.04 0.71 -0.03 0.03 0.09 0.00 0.00 178.44 179.20 2k87 h ARG 106 N 0.73 0.00 0.08 1.13 3.08 -0.99 -1.04 114.38 117.37 2k87 h ARG 106 Ca 0.16 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.94 2k87 h ARG 106 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2k87 h ARG 106 CO -0.00 0.03 -1.35 0.00 -1.07 0.00 0.00 179.97 177.58 2k87 h LEU 108 N 0.04 0.00 -9.59 0.00 3.38 -0.40 -3.45 115.31 105.29 2k87 h LEU 108 Ca -0.16 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.22 2k87 h LEU 108 Cb 1.94 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.82 2k87 h LEU 108 CO 0.15 0.35 0.11 0.79 0.09 0.00 0.00 178.44 179.94 2k87 n TRP 109 N -3.79 1.06 -2.59 1.13 8.01 -0.48 -4.96 117.44 115.82 2k87 n TRP 109 Ca -0.01 0.58 -0.12 0.00 -1.31 0.00 0.00 57.50 56.64 2k87 n TRP 109 Cb 0.43 -2.21 0.03 0.00 -2.01 0.00 0.00 31.31 27.55 2k87 n TRP 109 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 2k87 n SER 110 N 0.68 2.57 0.00 -0.99 7.64 -0.90 -4.69 113.62 117.93 2k87 n SER 110 Ca 0.10 -2.87 0.00 0.00 1.01 0.00 0.00 58.87 57.10 2k87 n SER 110 Cb 0.38 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2k87 n SER 110 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k87 n THR 111 N -0.36 0.00 -1.95 0.44 -2.24 -1.23 -4.82 114.28 104.13 2k87 n THR 111 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2k87 n THR 111 Cb 0.80 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 2k87 n THR 111 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2k87 n LYS 112 N 0.00 -5.00 -2.13 -0.78 4.81 -1.26 -3.84 118.16 109.96 2k87 n LYS 112 Ca 0.00 3.58 -0.32 0.00 -0.87 0.00 0.00 58.31 60.69 2k87 n LYS 112 Cb 0.00 -3.97 -0.00 0.00 0.02 0.00 0.00 35.03 31.08 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 -1.50 3.48 0.00 1.64 0.04 -1.26 -4.58 135.00 132.82 2k87 s PRO 113 Ca 0.00 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2k87 s PRO 113 Cb 0.00 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2k87 s PRO 113 CO 0.00 -0.67 0.00 0.28 0.04 0.00 0.00 177.00 176.65 2k87 n VAL 114 N -1.94 -1.67 0.00 -0.36 0.31 -1.26 -5.11 118.33 108.30 2k87 n VAL 114 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2k87 n VAL 114 Cb 0.53 -2.77 0.00 0.00 -0.91 0.00 0.00 33.84 30.69 2k87 n VAL 114 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2k87 n ASP 115 N 0.00 0.00 0.00 4.52 2.03 -1.26 -4.68 116.55 117.16 2k87 n ASP 115 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 2k87 n ASP 115 Cb 0.00 -0.44 0.20 0.00 -0.72 0.00 0.00 41.12 40.16 2k87 n ASP 115 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69