#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k87 h TYR 2 N 0.00 -0.03 0.00 2.03 -0.00 -2.01 -3.43 116.97 113.53 2k87 h TYR 2 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2k87 h TYR 2 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 36.73 36.74 2k87 h TYR 2 CO 0.00 -0.02 0.00 2.41 -0.00 0.00 0.00 178.16 180.55 2k87 n THR 3 N -2.12 0.00 -2.08 -0.90 -1.04 -1.26 -4.98 114.28 101.90 2k87 n THR 3 Ca -0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 2k87 n THR 3 Cb 0.01 1.09 -0.03 0.00 -1.82 0.00 0.00 70.33 69.58 2k87 n THR 3 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k87 n GLU 4 N 0.00 2.45 -1.83 -2.82 2.13 -1.26 -4.75 120.64 114.56 2k87 n GLU 4 Ca 0.00 -2.73 0.00 0.00 0.66 0.00 0.00 57.16 55.09 2k87 n GLU 4 Cb 0.39 -3.44 0.00 0.00 0.27 0.00 0.00 31.44 28.65 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 7.74 -3.80 -1.40 5.31 7.27 -1.26 -2.17 117.38 129.07 2k87 n GLN 5 Ca 0.48 2.73 -0.34 0.00 0.07 0.00 0.00 57.00 59.94 2k87 n GLN 5 Cb 0.44 -3.15 0.10 0.00 2.41 0.00 0.00 30.24 30.03 2k87 n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2k87 s PRO 6 N -1.49 2.08 -0.86 3.69 0.04 -1.26 -4.20 135.00 132.99 2k87 s PRO 6 Ca 0.00 1.78 -0.25 0.00 0.04 0.00 0.00 61.00 62.57 2k87 s PRO 6 Cb 0.00 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 2k87 s PRO 6 CO 0.00 -1.89 2.05 0.42 0.04 0.00 0.00 177.00 177.62 2k87 s ILE 7 N -1.98 3.35 -0.43 0.56 1.01 -1.26 -3.99 121.20 118.46 2k87 s ILE 7 Ca 0.75 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 61.09 2k87 s ILE 7 Cb -0.30 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.43 2k87 s ILE 7 CO 0.46 -0.74 0.10 -0.67 0.00 0.00 0.00 174.94 174.09 2k87 n ASP 8 N 14.94 -0.25 -4.65 3.58 2.03 -1.26 -4.78 116.55 126.16 2k87 n ASP 8 Ca 0.41 -0.30 -0.38 0.00 0.52 0.00 0.00 54.79 55.04 2k87 n ASP 8 Cb 0.46 -0.38 -0.09 0.00 -0.72 0.00 0.00 41.12 40.39 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 -2.94 4.11 -0.04 -2.67 0.20 -1.26 -3.28 118.68 112.80 2k87 s LEU 9 Ca 0.14 0.27 -0.01 0.00 0.69 0.00 0.00 54.13 55.22 2k87 s LEU 9 Cb -0.08 -2.30 0.03 0.00 -0.43 0.00 0.00 46.19 43.41 2k87 s LEU 9 CO 0.24 -0.03 0.04 0.68 -0.29 0.00 0.00 176.35 177.00 2k87 s VAL 10 N 1.36 -0.03 0.87 1.68 -7.23 -0.31 -4.98 120.40 111.76 2k87 s VAL 10 Ca 0.13 0.33 -0.10 0.00 -1.81 0.00 0.00 61.98 60.53 2k87 s VAL 10 Cb -0.14 -0.19 0.12 0.00 0.56 0.00 0.00 36.38 36.72 2k87 s VAL 10 CO 0.07 0.17 1.13 -2.16 -0.31 0.00 0.00 175.10 174.00 2k87 s PRO 11 N 1.87 1.44 0.00 4.82 0.05 -1.26 -0.46 135.00 141.46 2k87 s PRO 11 Ca 0.01 1.40 0.00 0.00 0.05 0.00 0.00 61.00 62.47 2k87 s PRO 11 Cb -0.12 -1.79 0.00 0.00 0.05 0.00 0.00 34.50 32.64 2k87 s PRO 11 CO -0.03 -2.29 0.00 -2.37 0.05 0.00 0.00 177.00 172.36 2k87 n THR 12 N -3.99 0.00 -3.98 1.26 5.66 -0.96 -4.72 114.28 107.55 2k87 n THR 12 Ca 0.11 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.01 2k87 n THR 12 Cb 0.52 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.19 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 -1.98 0.31 0.52 1.09 0.00 -1.26 -4.22 119.66 114.12 2k87 s GLN 13 Ca 0.00 -0.59 -0.20 0.00 -0.00 0.00 0.00 55.36 54.57 2k87 s GLN 13 Cb 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 33.01 33.02 2k87 s GLN 13 CO 0.00 -0.04 1.09 -1.25 0.00 0.00 0.00 175.29 175.09 2k87 s PRO 14 N -1.41 3.55 0.74 9.60 0.04 -1.26 -4.93 135.00 141.34 2k87 s PRO 14 Ca -0.15 1.50 -0.14 0.00 0.04 0.00 0.00 61.00 62.25 2k87 s PRO 14 Cb -0.10 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.45 2k87 s PRO 14 CO -0.01 -0.66 1.19 -0.51 0.04 0.00 0.00 177.00 177.05 2k87 s LEU 15 N -3.66 3.26 0.42 -3.56 2.01 -1.26 -4.98 118.68 110.91 2k87 s LEU 15 Ca 0.70 2.29 -0.25 0.00 0.01 0.00 0.00 54.13 56.88 2k87 s LEU 15 Cb -0.20 -4.58 -0.08 0.00 0.01 0.00 0.00 46.19 41.33 2k87 s LEU 15 CO 0.24 -2.29 1.31 -2.16 1.01 0.00 0.00 176.35 174.46 2k87 s PRO 16 N -4.04 3.86 -1.15 1.29 0.04 -1.26 -3.55 135.00 130.20 2k87 s PRO 16 Ca 0.72 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.93 2k87 s PRO 16 Cb -0.27 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.58 2k87 s PRO 16 CO 0.47 -0.58 0.00 0.27 0.04 0.00 0.00 177.00 177.19 2k87 n ASN 17 N -0.03 -3.21 -4.52 6.66 6.94 -1.26 -4.85 115.26 114.98 2k87 n ASN 17 Ca 0.05 0.26 -0.39 0.00 -0.02 0.00 0.00 54.58 54.48 2k87 n ASN 17 Cb 0.44 -2.97 0.03 0.00 -2.36 0.00 0.00 39.78 34.92 2k87 n ASN 17 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k87 n ALA 18 N -0.41 -0.69 -3.74 -2.53 0.00 -1.23 -4.32 120.51 107.58 2k87 n ALA 18 Ca -0.12 0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 2k87 n ALA 18 Cb 0.44 -1.92 -0.14 0.00 0.00 0.00 0.00 19.45 17.83 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 -1.10 -0.15 0.95 0.00 1.04 0.06 -4.94 113.70 109.55 2k87 s SER 19 Ca 0.69 0.38 -0.10 0.00 0.48 0.00 0.00 55.95 57.39 2k87 s SER 19 Cb -0.47 0.26 0.16 0.00 0.10 0.00 0.00 66.02 66.08 2k87 s SER 19 CO 0.53 -0.16 1.13 0.12 0.98 0.00 0.00 173.24 175.85 2k87 s PHE 20 N 1.22 1.59 0.04 5.02 5.36 -1.26 -0.70 117.98 129.26 2k87 s PHE 20 Ca -0.09 1.70 -0.08 0.00 -0.96 0.00 0.00 56.93 57.50 2k87 s PHE 20 Cb -0.11 -3.30 -0.00 0.00 -0.34 0.00 0.00 43.02 39.27 2k87 s PHE 20 CO -0.07 -2.95 0.16 0.34 -1.46 0.00 0.00 175.22 171.24 2k87 s ASP 21 N -2.66 0.07 0.00 6.13 2.15 -1.26 -4.78 116.67 116.32 2k87 s ASP 21 Ca 0.67 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.25 2k87 s ASP 21 Cb -0.23 0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.66 2k87 s ASP 21 CO 0.59 -0.53 0.52 0.59 -0.17 0.00 0.00 175.17 176.17 2k87 n ASN 22 N 0.76 0.00 -4.66 -0.34 5.03 -1.26 -4.79 115.26 109.99 2k87 n ASN 22 Ca -0.19 0.12 -0.37 0.00 0.87 0.00 0.00 54.58 55.00 2k87 n ASN 22 Cb 0.59 -0.12 0.06 0.00 -1.02 0.00 0.00 39.78 39.29 2k87 n ASN 22 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2k87 n PHE 23 N -1.02 1.22 -4.28 3.10 1.16 -1.26 -3.44 117.46 112.94 2k87 n PHE 23 Ca 0.00 0.42 -0.22 0.00 -1.87 0.00 0.00 57.45 55.78 2k87 n PHE 23 Cb 0.05 -2.18 -0.12 0.00 -1.61 0.00 0.00 39.48 35.61 2k87 n PHE 23 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2k87 s LYS 24 N -3.07 1.05 0.08 3.97 2.20 -0.56 -4.93 119.74 118.48 2k87 s LYS 24 Ca 0.79 -1.08 -0.17 0.00 -0.36 0.00 0.00 55.97 55.14 2k87 s LYS 24 Cb -0.39 -1.24 -0.07 0.00 -1.51 0.00 0.00 37.83 34.62 2k87 s LYS 24 CO 0.44 0.29 0.53 -0.51 -0.36 0.00 0.00 175.35 175.74 2k87 s LEU 25 N -1.80 4.48 0.09 5.43 1.43 -1.26 -1.24 118.68 125.80 2k87 s LEU 25 Ca 0.04 1.16 0.06 0.00 -1.03 0.00 0.00 54.13 54.37 2k87 s LEU 25 Cb -0.10 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.17 2k87 s LEU 25 CO 0.03 0.25 -0.17 0.42 0.23 0.00 0.00 176.35 177.11 2k87 s THR 26 N -1.19 1.35 0.02 5.49 -4.23 0.31 -4.76 115.64 112.64 2k87 s THR 26 Ca 0.30 -1.42 -0.28 0.00 -1.18 0.00 0.00 61.69 59.11 2k87 s THR 26 Cb -0.18 -1.28 0.10 0.00 1.34 0.00 0.00 72.50 72.48 2k87 s THR 26 CO 0.18 -0.18 0.98 0.00 -0.54 0.00 0.00 174.62 175.07 2k87 h SER 28 N 2.00 -0.94 -1.88 0.00 4.64 -2.02 -3.33 113.55 112.02 2k87 h SER 28 Ca -0.22 0.13 -0.49 0.00 -0.47 0.00 0.00 61.79 60.74 2k87 h SER 28 Cb 1.23 0.40 -0.02 0.00 -0.31 0.00 0.00 62.40 63.69 2k87 h SER 28 CO 0.28 -0.17 1.42 0.20 -0.87 0.00 0.00 176.83 177.69 2k87 s ASN 29 N -3.94 5.05 0.06 4.97 -0.87 -1.26 -4.87 114.94 114.08 2k87 s ASN 29 Ca -0.07 0.52 -0.29 0.00 -1.57 0.00 0.00 52.86 51.46 2k87 s ASN 29 Cb 0.04 -2.52 -0.17 0.00 -0.02 0.00 0.00 41.25 38.58 2k87 s ASN 29 CO 0.30 -2.52 1.58 0.71 -2.57 0.00 0.00 177.10 174.60 2k87 h THR 30 N 7.10 0.57 -0.74 1.60 1.35 -1.95 -3.27 112.91 117.57 2k87 h THR 30 Ca -0.25 -0.12 0.15 0.00 -0.55 0.00 0.00 66.41 65.63 2k87 h THR 30 Cb 1.19 0.63 -0.14 0.00 -1.73 0.00 0.00 68.15 68.10 2k87 h THR 30 CO 1.20 0.02 -0.21 0.50 -0.25 0.00 0.00 175.52 176.79 2k87 h LYS 31 N -0.65 -0.02 0.58 4.72 1.63 -1.91 0.29 116.57 121.22 2k87 h LYS 31 Ca -0.06 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 2k87 h LYS 31 Cb 0.48 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2k87 h LYS 31 CO 0.10 -0.01 -0.46 0.35 -3.45 0.00 0.00 179.45 175.98 2k87 h PHE 32 N -0.02 -1.25 -0.95 1.91 3.57 -1.75 0.12 116.94 118.56 2k87 h PHE 32 Ca 0.35 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.87 2k87 h PHE 32 Cb 0.55 0.47 -0.05 0.00 2.79 0.00 0.00 35.95 39.71 2k87 h PHE 32 CO -0.61 -0.65 0.63 0.00 -2.23 0.00 0.00 178.31 175.45 2k87 h ALA 33 N -0.82 1.37 -0.58 2.41 0.00 -1.10 -1.54 119.26 119.00 2k87 h ALA 33 Ca -0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2k87 h ALA 33 Cb 0.86 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2k87 h ALA 33 CO 0.01 0.56 -0.03 0.22 0.00 0.00 0.00 179.25 180.00 2k87 h ASP 34 N 1.23 1.02 0.15 0.00 3.58 -0.34 0.34 116.42 122.41 2k87 h ASP 34 Ca 0.37 -0.30 -0.26 0.00 0.42 0.00 0.00 57.03 57.25 2k87 h ASP 34 Cb -0.04 -0.28 0.02 0.00 1.72 0.00 0.00 39.33 40.75 2k87 h ASP 34 CO -0.10 1.09 -1.07 -0.78 -2.88 0.00 0.00 179.24 175.50 2k87 h ASP 35 N 0.94 0.78 -0.61 2.28 3.58 -0.73 -2.66 116.42 119.99 2k87 h ASP 35 Ca 0.16 -0.65 0.01 0.00 0.42 0.00 0.00 57.03 56.97 2k87 h ASP 35 Cb 0.59 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 2k87 h ASP 35 CO 0.04 1.46 0.40 -0.07 -2.88 0.00 0.00 179.24 178.19 2k87 h LEU 36 N 0.31 0.69 -1.42 2.28 3.38 -1.14 -1.80 115.31 117.60 2k87 h LEU 36 Ca -0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2k87 h LEU 36 Cb 1.72 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 2k87 h LEU 36 CO 0.20 0.49 0.31 0.78 0.09 0.00 0.00 178.44 180.31 2k87 h ASN 37 N 0.81 0.62 -0.41 -0.43 2.35 -0.94 -2.30 115.58 115.28 2k87 h ASN 37 Ca 0.23 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 2k87 h ASN 37 Cb -0.07 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 2k87 h ASN 37 CO -0.06 0.48 0.10 1.56 -1.65 0.00 0.00 177.43 177.86 2k87 h GLN 38 N 0.72 0.66 0.00 0.81 1.08 -1.03 -1.99 115.11 115.35 2k87 h GLN 38 Ca 0.19 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2k87 h GLN 38 Cb -0.02 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 2k87 h GLN 38 CO -0.04 0.68 0.00 0.52 -0.95 0.00 0.00 178.83 179.04 2k87 h MET 39 N 0.52 0.00 0.00 1.46 2.86 -0.75 -3.06 114.93 115.96 2k87 h MET 39 Ca 0.13 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 2k87 h MET 39 Cb 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2k87 h MET 39 CO 0.00 0.00 -1.61 -2.37 1.06 0.00 0.00 176.91 173.99 2k87 n THR 40 N -2.76 0.29 0.00 2.22 5.66 -1.17 -5.04 114.28 113.49 2k87 n THR 40 Ca -0.01 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 2k87 n THR 40 Cb 0.14 -0.14 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 2.04 1.28 3.65 1.09 0.00 -1.03 -4.97 105.19 107.25 2k87 n GLY 41 Ca -0.08 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.08 2.03 -4.30 1.61 7.35 -0.78 -5.00 117.46 118.28 2k87 n PHE 42 Ca 0.00 0.37 -0.18 0.00 -0.76 0.00 0.00 57.45 56.89 2k87 n PHE 42 Cb 0.00 -2.48 -0.14 0.00 0.35 0.00 0.00 39.48 37.20 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 1.18 0.66 0.97 -2.13 2.01 -1.26 -4.90 115.64 112.17 2k87 s THR 43 Ca 0.83 -0.43 -0.12 0.00 0.31 0.00 0.00 61.69 62.28 2k87 s THR 43 Cb -0.79 -0.57 0.17 0.00 0.01 0.00 0.00 72.50 71.33 2k87 s THR 43 CO 0.43 0.13 1.09 -0.54 -0.69 0.00 0.00 174.62 175.04 2k87 s LYS 44 N -0.33 0.67 0.20 4.92 1.02 -1.26 -4.34 119.74 120.61 2k87 s LYS 44 Ca 0.02 0.84 -0.30 0.00 0.02 0.00 0.00 55.97 56.55 2k87 s LYS 44 Cb -0.04 -1.74 -0.09 0.00 -0.52 0.00 0.00 37.83 35.45 2k87 s LYS 44 CO -0.00 -2.65 1.30 -2.14 -0.92 0.00 0.00 175.35 170.94 2k87 s PRO 45 N -4.83 4.39 -0.14 -1.68 0.02 -1.26 -5.10 135.00 126.41 2k87 s PRO 45 Ca 0.65 2.04 -0.29 0.00 0.02 0.00 0.00 61.00 63.42 2k87 s PRO 45 Cb -0.20 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.11 2k87 s PRO 45 CO 0.59 -0.25 1.25 0.00 -0.33 0.00 0.00 177.00 178.26 2k87 s ALA 46 N 0.11 3.63 0.25 -1.55 0.00 -1.26 -4.91 121.76 118.04 2k87 s ALA 46 Ca 0.56 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 53.00 2k87 s ALA 46 Cb -0.36 -3.60 0.32 0.00 0.00 0.00 0.00 23.12 19.48 2k87 s ALA 46 CO 0.38 -1.09 1.73 0.77 0.00 0.00 0.00 175.76 177.55 2k87 h SER 47 N 8.05 0.72 -5.40 0.00 0.02 -1.92 -3.45 113.55 111.56 2k87 h SER 47 Ca -0.28 -0.20 -0.21 0.00 -0.84 0.00 0.00 61.79 60.26 2k87 h SER 47 Cb 1.12 -0.19 -0.15 0.00 0.14 0.00 0.00 62.40 63.31 2k87 h SER 47 CO 0.95 0.84 -0.64 0.00 -1.14 0.00 0.00 176.83 176.84 2k87 s ARG 48 N -4.83 1.03 -0.02 3.45 1.70 -1.26 -5.03 118.95 113.99 2k87 s ARG 48 Ca -0.09 -1.51 0.02 0.00 -0.47 0.00 0.00 55.73 53.68 2k87 s ARG 48 Cb 0.14 0.21 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 2k87 s ARG 48 CO 0.81 -0.29 -0.05 -1.21 -1.08 0.00 0.00 175.30 173.47 2k87 s GLU 49 N -4.07 0.59 -0.07 3.89 2.02 -1.26 -1.50 118.70 118.29 2k87 s GLU 49 Ca 0.29 -0.17 0.01 0.00 0.02 0.00 0.00 54.97 55.12 2k87 s GLU 49 Cb 0.07 -0.59 0.02 0.00 0.10 0.00 0.00 34.13 33.73 2k87 s GLU 49 CO 0.05 0.06 -0.09 -0.51 0.02 0.00 0.00 175.26 174.79 2k87 s LEU 50 N 0.22 1.42 0.40 1.80 1.43 -0.38 -4.96 118.68 118.62 2k87 s LEU 50 Ca -0.02 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 2k87 s LEU 50 Cb -0.07 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 2k87 s LEU 50 CO -0.00 -0.03 0.60 -0.94 0.23 0.00 0.00 176.35 176.21 2k87 s SER 51 N 1.03 5.97 0.11 2.29 1.04 -1.26 -0.53 113.70 122.35 2k87 s SER 51 Ca -0.08 0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.68 2k87 s SER 51 Cb -0.15 -1.61 -0.04 0.00 0.10 0.00 0.00 66.02 64.32 2k87 s SER 51 CO -0.00 -0.55 -0.15 -0.69 0.98 0.00 0.00 173.24 172.82 2k87 s VAL 52 N -2.43 3.01 -0.01 5.02 1.01 -0.77 -1.64 120.40 124.60 2k87 s VAL 52 Ca 0.45 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2k87 s VAL 52 Cb -0.10 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.90 2k87 s VAL 52 CO 0.36 0.11 -0.00 0.42 0.00 0.00 0.00 175.10 175.99 2k87 s THR 53 N -1.16 0.07 -0.28 3.92 -4.23 -1.16 -4.70 115.64 108.11 2k87 s THR 53 Ca 0.19 0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 60.63 2k87 s THR 53 Cb -0.11 -0.10 -0.02 0.00 1.34 0.00 0.00 72.50 73.62 2k87 s THR 53 CO 0.11 0.05 0.10 -0.36 -0.54 0.00 0.00 174.62 173.98 2k87 s PHE 54 N 0.25 3.13 0.69 3.99 0.08 -1.25 -0.94 117.98 123.92 2k87 s PHE 54 Ca -0.02 -0.56 -0.16 0.00 0.12 0.00 0.00 56.93 56.31 2k87 s PHE 54 Cb -0.04 -2.28 -0.01 0.00 -0.57 0.00 0.00 43.02 40.12 2k87 s PHE 54 CO -0.01 -0.42 0.89 0.34 -0.10 0.00 0.00 175.22 175.92 2k87 n PHE 55 N 4.93 0.46 -2.06 0.36 7.35 -0.84 -2.87 117.46 124.79 2k87 n PHE 55 Ca -0.15 0.40 -0.40 0.00 -0.76 0.00 0.00 57.45 56.53 2k87 n PHE 55 Cb 0.50 -2.07 -0.03 0.00 0.35 0.00 0.00 39.48 38.24 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 -3.10 2.91 -0.30 -7.13 0.04 -1.26 -4.93 135.00 121.24 2k87 s PRO 56 Ca 0.73 0.85 -0.15 0.00 0.04 0.00 0.00 61.00 62.47 2k87 s PRO 56 Cb -0.36 -4.30 0.16 0.00 0.04 0.00 0.00 34.50 30.04 2k87 s PRO 56 CO 0.51 -2.38 1.00 0.34 0.04 0.00 0.00 177.00 176.50 2k87 s ASP 57 N 7.12 -0.53 -0.37 6.66 -1.08 -1.14 -5.11 116.67 122.22 2k87 s ASP 57 Ca 0.70 0.77 0.13 0.00 -0.52 0.00 0.00 52.55 53.62 2k87 s ASP 57 Cb -0.15 1.49 0.41 0.00 -1.46 0.00 0.00 42.92 43.21 2k87 s ASP 57 CO 0.25 -0.11 1.13 0.00 0.52 0.00 0.00 175.17 176.96 2k87 n LEU 58 N 4.53 -0.40 -0.00 -1.34 -0.00 -1.26 -3.87 117.00 114.66 2k87 n LEU 58 Ca -0.12 -3.71 0.04 0.00 -0.00 0.00 0.00 56.01 52.22 2k87 n LEU 58 Cb 0.54 0.32 -0.05 0.00 -0.00 0.00 0.00 43.42 44.23 2k87 n LEU 58 CO -0.02 1.81 -0.10 0.59 -0.00 0.00 0.00 177.39 179.67 2k87 n ASN 59 N -0.23 0.77 -4.87 1.45 3.02 -1.26 -5.03 115.26 109.11 2k87 n ASN 59 Ca 0.05 -0.59 -0.31 0.00 -0.03 0.00 0.00 54.58 53.70 2k87 n ASN 59 Cb 0.81 1.05 0.02 0.00 -0.61 0.00 0.00 39.78 41.05 2k87 n ASN 59 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2k87 s GLY 60 N -1.93 1.65 0.30 7.41 0.00 -1.26 -4.99 107.32 108.50 2k87 s GLY 60 Ca 0.02 -0.13 0.08 0.00 0.00 0.00 0.00 44.72 44.69 2k87 s GLY 60 CO 0.33 0.16 1.71 -0.55 0.00 0.00 0.00 173.10 174.76 2k87 h ASP 61 N -0.41 0.19 -3.93 1.64 3.32 -1.87 -3.41 116.42 111.94 2k87 h ASP 61 Ca -0.44 -0.08 -0.67 0.00 0.02 0.00 0.00 57.03 55.86 2k87 h ASP 61 Cb 1.20 -0.05 -0.22 0.00 0.22 0.00 0.00 39.33 40.48 2k87 h ASP 61 CO 0.62 0.60 -0.86 -0.69 -1.72 0.00 0.00 179.24 177.18 2k87 s VAL 62 N -4.11 2.19 0.43 -1.35 1.01 -0.65 -4.68 120.40 113.24 2k87 s VAL 62 Ca -0.04 -1.74 0.04 0.00 0.00 0.00 0.00 61.98 60.24 2k87 s VAL 62 Cb 0.13 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2k87 s VAL 62 CO 0.76 0.06 0.02 -0.69 0.00 0.00 0.00 175.10 175.26 2k87 s VAL 63 N -1.09 1.47 0.00 2.92 1.01 -0.88 -2.97 120.40 120.87 2k87 s VAL 63 Ca 0.13 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.12 2k87 s VAL 63 Cb -0.10 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 2k87 s VAL 63 CO 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 175.10 175.11 2k87 s ALA 64 N -2.89 0.37 0.03 5.51 0.00 -0.11 -2.95 121.76 121.71 2k87 s ALA 64 Ca 0.24 -0.26 0.04 0.00 0.00 0.00 0.00 51.96 51.98 2k87 s ALA 64 Cb 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2k87 s ALA 64 CO 0.12 0.07 -0.08 0.42 0.00 0.00 0.00 175.76 176.29 2k87 s ILE 65 N -0.29 3.54 0.50 0.00 -1.09 0.12 -1.98 121.20 122.00 2k87 s ILE 65 Ca -0.00 -0.89 -0.20 0.00 -2.23 0.00 0.00 60.65 57.32 2k87 s ILE 65 Cb -0.03 -2.56 -0.07 0.00 -1.58 0.00 0.00 42.46 38.22 2k87 s ILE 65 CO -0.00 0.34 1.09 -0.62 -1.23 0.00 0.00 174.94 174.52 2k87 s ASP 66 N -1.57 6.08 0.66 3.58 -1.08 -1.26 -1.03 116.67 122.05 2k87 s ASP 66 Ca 0.18 2.09 0.13 0.00 -0.52 0.00 0.00 52.55 54.43 2k87 s ASP 66 Cb -0.11 -2.58 0.72 0.00 -1.46 0.00 0.00 42.92 39.50 2k87 s ASP 66 CO 0.09 -0.97 1.41 0.22 0.52 0.00 0.00 175.17 176.43 2k87 h TYR 67 N 1.53 0.00 0.00 -5.34 5.03 -1.65 -2.86 116.97 113.67 2k87 h TYR 67 Ca -0.50 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.81 2k87 h TYR 67 Cb 1.24 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.52 2k87 h TYR 67 CO 0.54 0.00 0.45 0.07 -1.32 0.00 0.00 178.16 177.90 2k87 h ARG 68 N 0.00 0.00 0.00 1.82 0.11 -1.90 -0.09 114.38 114.31 2k87 h ARG 68 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 2k87 h ARG 68 Cb 1.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.51 2k87 h ARG 68 CO -0.00 0.00 -0.04 0.72 0.10 0.00 0.00 179.97 180.75 2k87 n HIS 69 N -2.31 0.00 -0.90 4.08 8.25 -1.08 -4.95 115.22 118.31 2k87 n HIS 69 Ca -0.01 -0.64 -0.36 0.00 -0.26 0.00 0.00 57.72 56.45 2k87 n HIS 69 Cb 0.47 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.83 1.40 -3.13 4.41 9.36 -0.05 -4.91 117.16 123.41 2k87 n TYR 70 Ca 0.07 -1.60 -0.33 0.00 3.32 0.00 0.00 57.90 59.35 2k87 n TYR 70 Cb 0.47 -1.51 -0.06 0.00 -0.63 0.00 0.00 39.34 37.61 2k87 n TYR 70 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2k87 s SER 71 N 4.85 6.85 0.00 2.98 0.15 -1.26 -4.97 113.70 122.30 2k87 s SER 71 Ca 0.51 1.32 0.08 0.00 0.70 0.00 0.00 55.95 58.55 2k87 s SER 71 Cb 0.13 -2.39 0.38 0.00 -1.71 0.00 0.00 66.02 62.43 2k87 s SER 71 CO 0.10 -0.14 1.11 0.00 1.20 0.00 0.00 173.24 175.51 2k87 n ALA 72 N -0.06 1.52 -0.16 5.45 0.00 -1.26 -1.00 120.51 125.01 2k87 n ALA 72 Ca 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 2k87 n ALA 72 Cb 0.53 -1.12 0.16 0.00 0.00 0.00 0.00 19.45 19.01 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 0.84 -0.19 0.00 0.02 -1.97 -3.14 113.55 109.11 2k87 h SER 73 Ca 0.00 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 2k87 h SER 73 Cb 0.07 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2k87 h SER 73 CO 0.00 0.82 0.05 0.49 -1.14 0.00 0.00 176.83 177.06 2k87 n PHE 74 N -4.26 0.65 -0.11 3.45 3.72 -0.17 -4.52 117.46 116.22 2k87 n PHE 74 Ca 0.04 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 2k87 n PHE 74 Cb 0.24 -0.28 0.28 0.00 -0.94 0.00 0.00 39.48 38.78 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 0.84 0.76 -0.62 -1.08 1.63 -1.71 -1.98 116.57 114.41 2k87 h LYS 75 Ca 0.05 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2k87 h LYS 75 Cb 1.09 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 2k87 h LYS 75 CO 0.19 0.59 0.00 1.63 -3.45 0.00 0.00 179.45 178.41 2k87 n LYS 76 N -4.37 3.36 0.00 1.90 5.02 -1.26 -4.93 118.16 117.88 2k87 n LYS 76 Ca 0.05 -2.75 0.00 0.00 -2.02 0.00 0.00 58.31 53.59 2k87 n LYS 76 Cb 0.12 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 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 1.12 2.67 3.74 0.72 0.00 -0.75 -4.48 105.19 108.21 2k87 n GLY 77 Ca 0.24 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.36 -0.64 0.33 4.61 0.00 -1.26 -2.28 121.76 120.17 2k87 s ALA 78 Ca 0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 2k87 s ALA 78 Cb 0.00 0.89 0.02 0.00 0.00 0.00 0.00 23.12 24.03 2k87 s ALA 78 CO 0.00 -0.95 0.60 -1.59 0.00 0.00 0.00 175.76 173.82 2k87 s LYS 79 N -3.43 1.94 0.00 0.00 -2.85 0.39 -4.10 119.74 111.69 2k87 s LYS 79 Ca 0.17 -1.48 0.00 0.00 -1.00 0.00 0.00 55.97 53.66 2k87 s LYS 79 Cb -0.04 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 2k87 s LYS 79 CO 0.10 -0.85 0.00 -0.11 0.10 0.00 0.00 175.35 174.59 2k87 n LEU 80 N -0.51 0.00 -0.14 2.77 7.94 0.51 -1.16 117.00 126.41 2k87 n LEU 80 Ca -0.03 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.83 2k87 n LEU 80 Cb 0.61 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.52 2k87 n LEU 80 CO 0.26 -0.15 0.36 -0.11 -1.11 0.00 0.00 177.39 176.64 2k87 n LEU 81 N 0.00 -0.35 0.00 -1.96 -0.00 -1.21 -4.02 117.00 109.46 2k87 n LEU 81 Ca 0.00 0.99 0.00 0.00 -0.00 0.00 0.00 56.01 57.00 2k87 n LEU 81 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 2k87 n LEU 81 CO 0.00 -0.68 0.11 0.00 -0.00 0.00 0.00 177.39 176.81 2k87 n HIS 82 N -3.73 0.00 -4.24 1.96 1.44 -1.26 -5.12 115.22 104.28 2k87 n HIS 82 Ca 0.01 -0.01 -0.21 0.00 -2.01 0.00 0.00 57.72 55.49 2k87 n HIS 82 Cb 0.09 -0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.08 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 -0.03 1.00 0.69 -1.40 1.02 -1.26 -5.15 119.74 114.62 2k87 s LYS 83 Ca 0.00 -1.11 -0.12 0.00 0.02 0.00 0.00 55.97 54.76 2k87 s LYS 83 Cb 0.00 -1.10 0.01 0.00 -0.52 0.00 0.00 37.83 36.22 2k87 s LYS 83 CO 0.00 0.24 1.07 -1.25 -0.92 0.00 0.00 175.35 174.49 2k87 s PRO 84 N -2.01 2.86 0.06 -1.68 0.04 -1.26 -0.37 135.00 132.65 2k87 s PRO 84 Ca 0.04 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.13 2k87 s PRO 84 Cb -0.09 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2k87 s PRO 84 CO 0.03 -1.16 -0.05 0.96 0.04 0.00 0.00 177.00 176.83 2k87 s ILE 85 N -2.90 0.39 0.22 0.56 -5.25 -1.26 -2.07 121.20 110.89 2k87 s ILE 85 Ca 0.60 -1.62 0.02 0.00 -0.99 0.00 0.00 60.65 58.65 2k87 s ILE 85 Cb -0.15 -1.27 -0.05 0.00 2.95 0.00 0.00 42.46 43.94 2k87 s ILE 85 CO 0.52 -0.81 0.05 0.68 -1.79 0.00 0.00 174.94 173.59 2k87 s VAL 86 N -3.14 0.64 -0.37 8.37 -7.23 -1.15 -4.76 120.40 112.75 2k87 s VAL 86 Ca 0.03 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 58.00 2k87 s VAL 86 Cb 0.02 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.55 2k87 s VAL 86 CO -0.06 -0.21 0.61 0.26 -0.31 0.00 0.00 175.10 175.40 2k87 s TRP 87 N -3.69 3.14 0.16 2.82 0.52 -1.26 -0.70 118.94 119.94 2k87 s TRP 87 Ca 0.32 0.22 0.02 0.00 0.02 0.00 0.00 56.10 56.68 2k87 s TRP 87 Cb 0.07 -3.14 -0.04 0.00 -1.15 0.00 0.00 33.47 29.21 2k87 s TRP 87 CO 0.10 -0.67 0.31 -3.38 0.02 0.00 0.00 176.95 173.33 2k87 s HIS 88 N 2.67 3.48 -0.07 -1.98 -3.43 -0.19 -4.88 115.29 110.89 2k87 s HIS 88 Ca 0.23 0.14 -0.01 0.00 -0.80 0.00 0.00 55.06 54.61 2k87 s HIS 88 Cb -0.15 -1.69 0.03 0.00 -1.43 0.00 0.00 32.58 29.35 2k87 s HIS 88 CO 0.15 0.49 0.00 0.42 -2.00 0.00 0.00 174.74 173.81 2k87 s ILE 89 N -1.78 0.37 -1.06 -5.38 1.01 -1.11 -1.66 121.20 111.59 2k87 s ILE 89 Ca 0.35 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.12 2k87 s ILE 89 Cb -0.11 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.83 2k87 s ILE 89 CO 0.29 0.25 0.00 -0.46 0.00 0.00 0.00 174.94 175.02 2k87 n ASN 90 N 5.15 -3.41 -2.41 3.58 2.04 -1.26 -0.17 115.26 118.78 2k87 n ASN 90 Ca -0.07 0.24 -0.19 0.00 -0.44 0.00 0.00 54.58 54.12 2k87 n ASN 90 Cb 0.50 -3.03 0.02 0.00 -2.53 0.00 0.00 39.78 34.73 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 -2.39 -3.13 -4.50 -3.83 6.02 -1.26 -5.04 117.38 103.26 2k87 n GLN 91 Ca -0.13 0.83 -0.24 0.00 -0.01 0.00 0.00 57.00 57.46 2k87 n GLN 91 Cb 0.52 -5.41 -0.10 0.00 1.02 0.00 0.00 30.24 26.27 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 -3.02 2.68 0.30 -1.58 0.00 0.76 -4.34 121.76 116.57 2k87 s ALA 92 Ca 0.16 -1.69 0.08 0.00 0.00 0.00 0.00 51.96 50.51 2k87 s ALA 92 Cb -0.07 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 2k87 s ALA 92 CO 0.19 -0.29 0.12 -0.08 0.00 0.00 0.00 175.76 175.70 2k87 s THR 93 N -3.23 3.42 0.13 0.00 -1.32 -1.26 -2.74 115.64 110.65 2k87 s THR 93 Ca 0.30 -1.69 -0.09 0.00 -1.21 0.00 0.00 61.69 59.00 2k87 s THR 93 Cb 0.06 -3.02 -0.00 0.00 -1.51 0.00 0.00 72.50 68.03 2k87 s THR 93 CO 0.14 -0.27 0.25 0.42 -2.21 0.00 0.00 174.62 172.96 2k87 s THR 94 N -2.34 0.10 0.56 5.08 -4.23 -1.26 -5.00 115.64 108.54 2k87 s THR 94 Ca 0.35 -1.24 0.37 0.00 -1.18 0.00 0.00 61.69 59.99 2k87 s THR 94 Cb -0.05 -1.57 0.39 0.00 1.34 0.00 0.00 72.50 72.61 2k87 s THR 94 CO 0.22 -0.45 2.26 0.50 -0.54 0.00 0.00 174.62 176.62 2k87 h LYS 95 N 2.62 0.00 -0.36 3.99 3.11 -2.01 0.32 116.57 124.23 2k87 h LYS 95 Ca -0.33 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.48 2k87 h LYS 95 Cb 1.22 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.43 2k87 h LYS 95 CO 0.51 0.02 0.07 1.15 -2.81 0.00 0.00 179.45 178.39 2k87 h THR 96 N 0.00 1.18 -0.08 1.00 2.02 -2.04 -3.25 112.91 111.73 2k87 h THR 96 Ca -0.00 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2k87 h THR 96 Cb 0.09 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2k87 h THR 96 CO 0.00 0.23 0.00 0.35 0.37 0.00 0.00 175.52 176.47 2k87 n THR 97 N -4.33 1.03 0.02 3.16 -2.24 0.40 -4.61 114.28 107.72 2k87 n THR 97 Ca 0.02 -1.04 -0.01 0.00 -2.27 0.00 0.00 64.05 60.75 2k87 n THR 97 Cb 0.20 0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.50 -0.08 -0.76 4.78 3.57 -0.55 -3.15 116.94 121.24 2k87 h PHE 98 Ca 0.00 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 2k87 h PHE 98 Cb 0.58 0.03 -0.14 0.00 2.79 0.00 0.00 35.95 39.20 2k87 h PHE 98 CO 0.06 -0.05 -0.31 0.87 -2.23 0.00 0.00 178.31 176.65 2k87 h LYS 99 N -0.29 -0.07 -0.03 1.11 1.79 -1.82 0.13 116.57 117.39 2k87 h LYS 99 Ca -0.01 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.32 2k87 h LYS 99 Cb 0.07 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2k87 h LYS 99 CO 0.01 -0.05 -0.64 -1.00 -1.08 0.00 0.00 179.45 176.70 2k87 h PRO 100 N -0.07 0.11 -0.36 3.15 0.13 -1.83 -3.23 132.00 129.89 2k87 h PRO 100 Ca 0.31 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 65.31 2k87 h PRO 100 Cb 0.57 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 2k87 h PRO 100 CO -0.80 0.71 0.02 -0.91 -0.23 0.00 0.00 178.00 176.80 2k87 h ASN 101 N 0.08 0.52 -0.10 1.44 2.35 -0.73 -2.72 115.58 116.42 2k87 h ASN 101 Ca -0.01 -0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.68 2k87 h ASN 101 Cb 1.15 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.38 2k87 h ASN 101 CO 0.09 0.57 0.07 0.71 -1.65 0.00 0.00 177.43 177.22 2k87 h THR 102 N 0.54 0.93 -0.58 2.81 1.35 -1.39 0.21 112.91 116.78 2k87 h THR 102 Ca 0.12 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.89 2k87 h THR 102 Cb 0.31 0.95 -0.02 0.00 -1.73 0.00 0.00 68.15 67.66 2k87 h THR 102 CO 0.01 0.00 0.01 -0.50 -0.25 0.00 0.00 175.52 174.79 2k87 h TRP 103 N 0.00 1.07 -0.76 4.73 4.06 -1.65 -1.24 115.95 122.17 2k87 h TRP 103 Ca 0.05 -0.17 -0.03 0.00 2.06 0.00 0.00 58.89 60.80 2k87 h TRP 103 Cb 0.19 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 28.03 2k87 h TRP 103 CO 0.00 0.95 0.35 0.00 -3.56 0.00 0.00 178.44 176.18 2k87 h LEU 105 N 1.08 0.52 -2.56 0.00 3.38 -0.92 -0.07 115.31 116.74 2k87 h LEU 105 Ca 0.26 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2k87 h LEU 105 Cb 0.13 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2k87 h LEU 105 CO -0.03 0.62 0.06 0.03 0.09 0.00 0.00 178.44 179.20 2k87 h ARG 106 N 0.40 0.00 0.03 1.13 3.08 -0.92 0.77 114.38 118.87 2k87 h ARG 106 Ca 0.11 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.94 2k87 h ARG 106 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2k87 h ARG 106 CO 0.00 0.00 -0.97 0.00 -1.07 0.00 0.00 179.97 177.93 2k87 h LEU 108 N 0.07 0.00-10.15 0.00 3.38 0.36 -3.46 115.31 105.51 2k87 h LEU 108 Ca -0.05 -0.06 -0.54 0.00 0.09 0.00 0.00 57.88 57.31 2k87 h LEU 108 Cb 1.65 0.00 0.18 0.00 0.09 0.00 0.00 40.66 42.58 2k87 h LEU 108 CO 0.15 0.03 0.37 0.79 0.09 0.00 0.00 178.44 179.86 2k87 n TRP 109 N -2.49 1.41 -3.82 1.13 7.02 0.06 -4.93 117.44 115.83 2k87 n TRP 109 Ca 0.04 0.41 -0.36 0.00 -1.02 0.00 0.00 57.50 56.57 2k87 n TRP 109 Cb 0.48 -2.15 -0.07 0.00 -2.42 0.00 0.00 31.31 27.14 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 -1.88 6.22 0.39 -0.99 0.15 0.13 -4.74 113.70 112.98 2k87 s SER 110 Ca 0.76 0.31 -0.27 0.00 0.70 0.00 0.00 55.95 57.45 2k87 s SER 110 Cb -0.32 -2.06 -0.10 0.00 -1.71 0.00 0.00 66.02 61.83 2k87 s SER 110 CO 0.48 0.27 1.41 0.42 1.20 0.00 0.00 173.24 177.02 2k87 s THR 111 N -0.19 2.29 -0.59 6.45 -4.23 -1.26 -0.76 115.64 117.33 2k87 s THR 111 Ca 0.10 0.28 -0.28 0.00 -1.18 0.00 0.00 61.69 60.61 2k87 s THR 111 Cb -0.11 -3.17 -0.16 0.00 1.34 0.00 0.00 72.50 70.40 2k87 s THR 111 CO 0.00 0.06 1.88 1.17 -0.54 0.00 0.00 174.62 177.19 2k87 n LYS 112 N 0.35 0.00 -1.59 3.99 3.00 -1.26 -4.84 118.16 117.81 2k87 n LYS 112 Ca 0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.93 2k87 n LYS 112 Cb 0.41 -1.15 0.03 0.00 0.00 0.00 0.00 35.03 34.31 2k87 n LYS 112 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2k87 n PRO 113 N 6.18 1.11 -0.32 1.64 -0.02 -1.26 -4.91 135.00 137.42 2k87 n PRO 113 Ca 0.47 0.41 0.07 0.00 -2.02 0.00 0.00 63.50 62.43 2k87 n PRO 113 Cb -0.00 -2.03 0.22 0.00 -0.02 0.00 0.00 33.50 31.67 2k87 n PRO 113 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2k87 n VAL 114 N -1.01 0.89 0.06 -1.45 0.24 -1.26 -2.85 118.33 112.96 2k87 n VAL 114 Ca 0.11 -0.70 -0.06 0.00 -2.04 0.00 0.00 64.34 61.65 2k87 n VAL 114 Cb 0.43 0.17 0.11 0.00 -1.47 0.00 0.00 33.84 33.08 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 2.75 0.38 0.00 -1.34 3.58 -2.00 -3.58 116.42 116.22 2k87 h ASP 115 Ca 0.00 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.25 2k87 h ASP 115 Cb 0.82 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2k87 h ASP 115 CO 0.07 0.86 0.00 0.41 -2.88 0.00 0.00 179.24 177.70