#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2olm h SER 4 N 0.00 0.90 -0.84 -3.46 0.87 -2.05 -0.17 113.55 108.80 2olm h SER 4 Ca 0.00 -0.75 -0.02 0.00 -1.23 0.00 0.00 61.79 59.79 2olm h SER 4 Cb 0.00 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.64 2olm h SER 4 CO 0.00 1.54 0.45 0.00 -0.53 0.00 0.00 176.83 178.28 2olm h ALA 5 N 0.39 1.20 0.25 6.23 0.00 -2.06 0.20 119.26 125.48 2olm h ALA 5 Ca -0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2olm h ALA 5 Cb 1.71 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2olm h ALA 5 CO 0.21 0.64 -0.12 -0.22 0.00 0.00 0.00 179.25 179.75 2olm h LYS 6 N 1.18 -0.33 -0.65 0.00 3.64 -2.00 -2.84 116.57 115.58 2olm h LYS 6 Ca 0.30 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.82 2olm h LYS 6 Cb 0.05 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 31.85 2olm h LYS 6 CO -0.05 -0.13 0.16 0.00 -2.27 0.00 0.00 179.45 177.16 2olm h ARG 7 N -0.46 0.27 -0.11 1.90 3.08 -0.76 -1.47 114.38 116.85 2olm h ARG 7 Ca -0.03 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.03 2olm h ARG 7 Cb 0.34 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 2olm h ARG 7 CO 0.06 0.18 -0.06 -0.22 -1.07 0.00 0.00 179.97 178.86 2olm h LYS 8 N 0.28 -0.05 -0.59 0.04 3.64 -0.50 -0.04 116.57 119.35 2olm h LYS 8 Ca 0.35 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.65 2olm h LYS 8 Cb 0.53 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2olm h LYS 8 CO -0.43 -0.03 0.06 1.96 -2.27 0.00 0.00 179.45 178.74 2olm h GLN 9 N -0.05 1.01 -0.40 1.90 1.08 -1.28 -1.65 115.11 115.71 2olm h GLN 9 Ca 0.06 -0.29 0.02 0.00 -1.45 0.00 0.00 58.65 57.00 2olm h GLN 9 Cb 0.15 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 2olm h GLN 9 CO -0.14 0.97 0.22 0.93 -0.95 0.00 0.00 178.83 179.86 2olm h GLU 10 N 0.91 0.43 -0.04 1.46 5.08 -0.89 -0.89 114.58 120.64 2olm h GLU 10 Ca 0.18 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.35 2olm h GLU 10 Cb 0.47 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2olm h GLU 10 CO 0.02 0.29 -0.68 0.93 -1.00 0.00 0.00 179.01 178.57 2olm h GLU 11 N 0.44 0.18 -0.67 2.33 4.39 -0.92 -2.40 114.58 117.93 2olm h GLU 11 Ca 0.17 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2olm h GLU 11 Cb 0.04 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 2olm h GLU 11 CO -0.10 0.79 0.44 -0.22 -1.16 0.00 0.00 179.01 178.75 2olm h LYS 12 N 0.12 0.90 -0.53 2.33 3.64 -1.06 0.00 116.57 121.98 2olm h LYS 12 Ca -0.01 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 2olm h LYS 12 Cb 1.21 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2olm h LYS 12 CO 0.10 0.61 0.07 0.45 -2.27 0.00 0.00 179.45 178.41 2olm h HIS 13 N 0.92 0.89 -0.27 1.91 3.86 -0.94 -0.65 115.15 120.86 2olm h HIS 13 Ca 0.25 -0.11 -0.14 0.00 -1.16 0.00 0.00 60.37 59.21 2olm h HIS 13 Cb -0.08 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 2olm h HIS 13 CO -0.02 0.78 -0.40 -0.07 0.86 0.00 0.00 177.93 179.07 2olm h LEU 14 N 0.80 0.68 -0.44 2.43 3.38 -1.03 0.12 115.31 121.26 2olm h LEU 14 Ca 0.17 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2olm h LEU 14 Cb 0.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2olm h LEU 14 CO 0.01 1.00 0.25 0.50 0.09 0.00 0.00 178.44 180.29 2olm h LYS 15 N 0.53 0.60 -0.81 1.13 3.64 -0.53 -0.61 116.57 120.52 2olm h LYS 15 Ca 0.04 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2olm h LYS 15 Cb 0.93 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 2olm h LYS 15 CO 0.08 0.47 0.44 0.52 -2.27 0.00 0.00 179.45 178.69 2olm h MET 16 N 0.57 1.13 -0.43 1.90 2.86 -0.87 -0.79 114.93 119.32 2olm h MET 16 Ca 0.15 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2olm h MET 16 Cb 0.03 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 2olm h MET 16 CO -0.03 0.84 0.26 1.25 1.06 0.00 0.00 176.91 180.29 2olm h LEU 17 N 1.13 0.51 -0.82 1.22 5.85 -0.50 -2.62 115.31 120.07 2olm h LEU 17 Ca 0.28 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 2olm h LEU 17 Cb 0.04 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2olm h LEU 17 CO -0.04 0.41 -0.31 0.03 -0.34 0.00 0.00 178.44 178.18 2olm h ARG 18 N 0.56 0.00 -0.60 1.25 2.47 -0.78 0.15 114.38 117.43 2olm h ARG 18 Ca 0.15 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.91 2olm h ARG 18 Cb -0.01 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.27 2olm h ARG 18 CO -0.03 0.31 0.35 0.22 0.56 0.00 0.00 179.97 181.38 2olm h ASP 19 N 0.00 0.54 -0.01 7.04 3.58 -0.94 -2.93 116.42 123.70 2olm h ASP 19 Ca -0.00 0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.22 2olm h ASP 19 Cb 0.92 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.88 2olm h ASP 19 CO 0.04 0.37 -0.92 0.24 -2.88 0.00 0.00 179.24 176.09 2olm h MET 20 N 0.67 0.69 0.00 0.28 2.86 -0.89 -3.21 114.93 115.34 2olm h MET 20 Ca 0.25 -0.67 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 2olm h MET 20 Cb 0.09 0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2olm h MET 20 CO -0.13 1.26 0.00 1.79 1.06 0.00 0.00 176.91 180.89 2olm h THR 21 N 0.43 0.00 -0.00 2.22 1.35 -0.72 -1.95 112.91 114.24 2olm h THR 21 Ca -0.09 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2olm h THR 21 Cb 1.56 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 2olm h THR 21 CO 0.18 0.00 -0.42 0.61 -0.25 0.00 0.00 175.52 175.64 2olm n GLY 22 N -0.28 -1.28 3.77 5.82 0.00 -1.11 -4.16 105.19 107.95 2olm n GLY 22 Ca 0.00 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2olm n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2olm s LEU 23 N -2.99 4.41 0.22 0.99 1.43 -0.73 -4.87 118.68 117.13 2olm s LEU 23 Ca 0.12 2.74 -0.09 0.00 -1.03 0.00 0.00 54.13 55.87 2olm s LEU 23 Cb 0.18 -3.66 0.32 0.00 0.03 0.00 0.00 46.19 43.06 2olm s LEU 23 CO 0.67 -0.59 1.71 1.55 0.23 0.00 0.00 176.35 179.93 2olm h PRO 24 N 3.31 0.30 0.00 1.29 0.13 -1.91 0.06 132.00 135.18 2olm h PRO 24 Ca -0.49 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2olm h PRO 24 Cb 1.23 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2olm h PRO 24 CO 0.65 0.20 -0.14 0.45 -0.23 0.00 0.00 178.00 178.93 2olm h HIS 25 N 0.31 0.00 -0.00 1.56 3.86 -1.95 -2.50 115.15 116.44 2olm h HIS 25 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 2olm h HIS 25 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 2olm h HIS 25 CO -0.22 0.14 -0.10 0.09 0.86 0.00 0.00 177.93 178.70 2olm n ASN 26 N -3.42 0.38 0.00 2.45 3.02 -0.02 -3.70 115.26 113.96 2olm n ASN 26 Ca -0.01 -0.45 0.13 0.00 -0.03 0.00 0.00 54.58 54.22 2olm n ASN 26 Cb 0.32 -0.11 0.60 0.00 -0.61 0.00 0.00 39.78 39.98 2olm n ASN 26 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2olm n ARG 27 N -1.05 0.00 -4.47 3.52 1.74 -0.94 -4.62 116.66 110.85 2olm n ARG 27 Ca 0.14 0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 57.03 2olm n ARG 27 Cb 0.27 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.08 2olm n ARG 27 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2olm s LYS 28 N -3.00 1.02 0.09 5.56 -0.14 -1.24 -4.18 119.74 117.85 2olm s LYS 28 Ca 0.13 -0.67 -0.36 0.00 -1.36 0.00 0.00 55.97 53.71 2olm s LYS 28 Cb 0.18 -1.02 -0.17 0.00 -1.68 0.00 0.00 37.83 35.15 2olm s LYS 28 CO 0.51 0.26 1.34 0.00 -0.76 0.00 0.00 175.35 176.71 2olm h PHE 30 N 4.57 0.00 0.08 0.00 3.57 -1.45 -0.59 116.94 123.12 2olm h PHE 30 Ca -0.47 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 60.66 2olm h PHE 30 Cb 1.33 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.04 2olm h PHE 30 CO 0.60 0.16 -2.08 -0.25 -2.23 0.00 0.00 178.31 174.50 2olm n ASP 31 N -4.21 2.06 -0.01 0.41 8.00 -1.26 -4.62 116.55 116.92 2olm n ASP 31 Ca -0.02 0.15 0.08 0.00 0.71 0.00 0.00 54.79 55.70 2olm n ASP 31 Cb 0.23 -0.76 -0.12 0.00 -0.02 0.00 0.00 41.12 40.45 2olm n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2olm n ASP 33 N -2.00 -5.17 -0.01 0.00 2.03 -0.23 -4.82 116.55 106.35 2olm n ASP 33 Ca -0.02 0.44 0.07 0.00 0.52 0.00 0.00 54.79 55.80 2olm n ASP 33 Cb 0.40 -4.57 -0.11 0.00 -0.72 0.00 0.00 41.12 36.12 2olm n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2olm n GLN 34 N -2.36 0.62 -3.87 -0.67 6.02 -1.26 -4.82 117.38 111.04 2olm n GLN 34 Ca -0.20 -0.12 -0.09 0.00 -0.01 0.00 0.00 57.00 56.58 2olm n GLN 34 Cb 0.64 -1.34 -0.00 0.00 1.02 0.00 0.00 30.24 30.56 2olm n GLN 34 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2olm s ARG 35 N -2.98 2.00 0.41 -1.09 1.70 -1.26 -5.02 118.95 112.71 2olm s ARG 35 Ca -0.04 -1.30 -0.25 0.00 -0.47 0.00 0.00 55.73 53.66 2olm s ARG 35 Cb 0.10 0.59 -0.08 0.00 -0.57 0.00 0.00 34.95 34.98 2olm s ARG 35 CO 0.62 -0.91 1.25 0.20 -1.08 0.00 0.00 175.30 175.38 2olm s GLY 36 N -3.03 2.90 0.45 3.88 0.00 -1.26 -0.34 107.32 109.93 2olm s GLY 36 Ca 0.16 1.14 -0.22 0.00 0.00 0.00 0.00 44.72 45.80 2olm s GLY 36 CO 0.11 1.69 1.08 2.56 0.00 0.00 0.00 173.10 178.53 2olm s PRO 37 N -2.30 3.88 0.00 2.90 0.04 -1.26 -4.47 135.00 133.79 2olm s PRO 37 Ca 0.58 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2olm s PRO 37 Cb -0.35 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2olm s PRO 37 CO 0.45 -0.39 0.00 0.25 0.04 0.00 0.00 177.00 177.34 2olm n THR 38 N -0.58 0.00 -4.26 1.26 -2.24 -0.19 -4.91 114.28 103.36 2olm n THR 38 Ca 0.08 -0.09 -0.18 0.00 -2.27 0.00 0.00 64.05 61.59 2olm n THR 38 Cb 0.50 0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 2olm n THR 38 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2olm s TYR 39 N -1.53 1.43 -0.16 4.78 2.02 -0.18 -1.23 117.35 122.48 2olm s TYR 39 Ca 0.00 -0.58 -0.11 0.00 -0.37 0.00 0.00 57.07 56.01 2olm s TYR 39 Cb 0.00 -0.73 -0.05 0.00 -0.40 0.00 0.00 41.96 40.78 2olm s TYR 39 CO 0.00 0.16 0.20 0.08 -1.57 0.00 0.00 175.55 174.43 2olm s VAL 40 N -2.37 5.37 -0.64 0.71 1.01 0.44 -0.74 120.40 124.18 2olm s VAL 40 Ca 0.11 0.36 -0.19 0.00 0.00 0.00 0.00 61.98 62.26 2olm s VAL 40 Cb -0.04 -3.53 0.11 0.00 0.00 0.00 0.00 36.38 32.93 2olm s VAL 40 CO 0.03 0.46 0.76 0.21 0.00 0.00 0.00 175.10 176.56 2olm s ASN 41 N 0.06 6.26 0.48 3.32 3.84 0.34 -0.85 114.94 128.40 2olm s ASN 41 Ca 0.13 -1.56 0.31 0.00 0.21 0.00 0.00 52.86 51.95 2olm s ASN 41 Cb -0.12 -2.31 1.29 0.00 -0.55 0.00 0.00 41.25 39.56 2olm s ASN 41 CO 0.02 -1.09 1.92 0.24 -2.79 0.00 0.00 177.10 175.40 2olm h MET 42 N 9.07 0.00 -0.66 0.43 2.86 -0.97 0.30 114.93 125.97 2olm h MET 42 Ca -0.23 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 2olm h MET 42 Cb 1.08 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 2olm h MET 42 CO 1.08 0.00 0.30 1.15 1.06 0.00 0.00 176.91 180.50 2olm h THR 43 N 0.00 1.23 0.00 2.22 2.02 -1.91 -3.33 112.91 113.13 2olm h THR 43 Ca 0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2olm h THR 43 Cb 0.46 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2olm h THR 43 CO 0.00 0.28 -0.34 1.33 0.37 0.00 0.00 175.52 177.16 2olm n VAL 44 N -4.44 0.00 -1.64 3.16 0.24 -1.16 -5.04 118.33 109.44 2olm n VAL 44 Ca 0.05 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2olm n VAL 44 Cb 0.15 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 2olm n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2olm n GLY 45 N 1.25 0.92 3.71 7.63 0.00 0.10 -4.79 105.19 114.01 2olm n GLY 45 Ca 0.01 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 2olm n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2olm s SER 46 N -2.71 4.38 -0.19 1.61 1.04 -0.88 0.04 113.70 116.99 2olm s SER 46 Ca 0.00 -1.05 -0.02 0.00 0.48 0.00 0.00 55.95 55.37 2olm s SER 46 Cb 0.00 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.61 2olm s SER 46 CO 0.00 -0.46 -0.11 -0.36 0.98 0.00 0.00 173.24 173.29 2olm s PHE 47 N -2.57 2.87 0.15 5.02 0.08 -1.26 -0.50 117.98 121.76 2olm s PHE 47 Ca 0.39 -1.13 0.03 0.00 0.12 0.00 0.00 56.93 56.34 2olm s PHE 47 Cb 0.03 -2.00 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 2olm s PHE 47 CO 0.22 -0.58 -0.04 0.14 -0.10 0.00 0.00 175.22 174.85 2olm s VAL 48 N 1.22 0.85 0.72 -0.44 -7.23 0.08 -1.14 120.40 114.46 2olm s VAL 48 Ca 0.02 -1.99 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 2olm s VAL 48 Cb -0.14 -1.95 0.10 0.00 0.56 0.00 0.00 36.38 34.95 2olm s VAL 48 CO -0.05 -0.64 1.01 0.00 -0.31 0.00 0.00 175.10 175.11 2olm h THR 50 N -0.61 1.27 -0.29 0.00 2.02 -1.94 -0.97 112.91 112.39 2olm h THR 50 Ca -0.41 -1.20 -0.04 0.00 0.77 0.00 0.00 66.41 65.53 2olm h THR 50 Cb 1.29 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2olm h THR 50 CO 0.49 0.43 0.04 -1.28 0.37 0.00 0.00 175.52 175.57 2olm h SER 51 N 0.93 0.46 -0.16 4.18 0.87 -1.99 -0.88 113.55 116.96 2olm h SER 51 Ca 0.16 -0.27 -0.09 0.00 -1.23 0.00 0.00 61.79 60.36 2olm h SER 51 Cb 0.61 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2olm h SER 51 CO 0.04 0.62 -0.16 0.00 -0.53 0.00 0.00 176.83 176.79 2olm h SER 53 N 0.51 0.75 -0.79 0.00 0.02 -0.76 0.13 113.55 113.42 2olm h SER 53 Ca 0.09 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 2olm h SER 53 Cb 0.58 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 2olm h SER 53 CO 0.04 0.51 0.51 1.23 -1.14 0.00 0.00 176.83 177.98 2olm h GLY 54 N 0.89 1.15 1.35 -3.77 0.00 -0.64 -1.97 103.07 100.08 2olm h GLY 54 Ca 0.31 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 2olm h GLY 54 CO -0.13 0.33 -0.33 1.76 0.00 0.00 0.00 176.54 178.17 2olm h SER 55 N 0.99 0.76 -0.30 0.19 0.02 -0.81 -2.96 113.55 111.44 2olm h SER 55 Ca 0.32 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2olm h SER 55 Cb 0.00 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 2olm h SER 55 CO -0.11 1.02 0.17 -0.07 -1.14 0.00 0.00 176.83 176.71 2olm h LEU 56 N 0.61 0.39 -0.37 5.07 3.38 -0.50 -0.58 115.31 123.32 2olm h LEU 56 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2olm h LEU 56 Cb 0.86 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2olm h LEU 56 CO 0.07 0.32 0.00 0.54 0.09 0.00 0.00 178.44 179.47 2olm n ARG 57 N -4.45 0.13 0.00 1.13 5.12 -0.76 -2.17 116.66 115.66 2olm n ARG 57 Ca 0.02 0.32 0.13 0.00 -1.93 0.00 0.00 57.85 56.39 2olm n ARG 57 Cb 0.10 -1.72 0.39 0.00 -1.16 0.00 0.00 32.46 30.07 2olm n ARG 57 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2olm n GLY 58 N 0.20 -0.89 3.80 -0.13 0.00 -0.23 -4.74 105.19 103.21 2olm n GLY 58 Ca 0.03 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2olm n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2olm s LEU 59 N -2.67 3.25 -0.20 0.99 1.43 -1.09 -4.96 118.68 115.43 2olm s LEU 59 Ca 0.21 1.77 -0.00 0.00 -1.03 0.00 0.00 54.13 55.07 2olm s LEU 59 Cb 0.19 -4.52 0.05 0.00 0.03 0.00 0.00 46.19 41.94 2olm s LEU 59 CO 0.57 -1.52 -0.04 0.21 0.23 0.00 0.00 176.35 175.80 2olm s ASN 60 N -3.26 3.24 0.58 2.29 2.47 -1.26 -1.78 114.94 117.22 2olm s ASN 60 Ca 0.61 -0.89 -0.18 0.00 0.42 0.00 0.00 52.86 52.83 2olm s ASN 60 Cb -0.16 -0.96 -0.04 0.00 -1.45 0.00 0.00 41.25 38.64 2olm s ASN 60 CO 0.48 -0.23 1.11 -2.84 -3.72 0.00 0.00 177.10 171.91 2olm s PRO 61 N 1.58 3.23 0.51 0.43 0.02 -1.26 -5.13 135.00 134.39 2olm s PRO 61 Ca -0.02 1.49 -0.18 0.00 0.02 0.00 0.00 61.00 62.32 2olm s PRO 61 Cb -0.17 -2.00 -0.08 0.00 0.02 0.00 0.00 34.50 32.28 2olm s PRO 61 CO -0.07 -0.92 1.00 -1.25 -0.33 0.00 0.00 177.00 175.42 2olm s PRO 62 N -3.58 3.85 0.39 5.54 0.04 -0.73 -5.04 135.00 135.47 2olm s PRO 62 Ca 0.70 1.08 -0.20 0.00 0.04 0.00 0.00 61.00 62.61 2olm s PRO 62 Cb -0.22 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.10 2olm s PRO 62 CO 0.31 -0.36 0.90 -1.01 0.04 0.00 0.00 177.00 176.88 2olm s HIS 63 N -2.45 3.39 -0.48 0.56 3.76 -0.92 -4.99 115.29 114.16 2olm s HIS 63 Ca 0.61 1.55 -0.19 0.00 -0.15 0.00 0.00 55.06 56.88 2olm s HIS 63 Cb -0.12 -2.79 0.04 0.00 1.11 0.00 0.00 32.58 30.82 2olm s HIS 63 CO 0.28 -0.01 0.59 0.50 -0.85 0.00 0.00 174.74 175.25 2olm s ARG 64 N -2.95 3.15 -0.08 1.40 6.06 -1.26 -4.49 118.95 120.79 2olm s ARG 64 Ca 0.58 -0.75 -0.00 0.00 -2.50 0.00 0.00 55.73 53.06 2olm s ARG 64 Cb -0.11 -4.04 -0.03 0.00 0.06 0.00 0.00 34.95 30.83 2olm s ARG 64 CO 0.16 -1.11 -0.04 0.14 -2.50 0.00 0.00 175.30 171.95 2olm s VAL 65 N 2.58 3.98 -0.01 7.11 -7.23 -1.26 -0.35 120.40 125.22 2olm s VAL 65 Ca 0.16 -0.37 0.03 0.00 -1.81 0.00 0.00 61.98 59.98 2olm s VAL 65 Cb -0.18 -2.65 -0.00 0.00 0.56 0.00 0.00 36.38 34.11 2olm s VAL 65 CO 0.14 0.60 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.91 2olm s LYS 66 N -0.85 0.73 0.16 4.82 1.02 -0.03 -4.96 119.74 120.63 2olm s LYS 66 Ca 0.13 -0.30 -0.31 0.00 0.02 0.00 0.00 55.97 55.51 2olm s LYS 66 Cb -0.11 -0.70 -0.10 0.00 -0.52 0.00 0.00 37.83 36.40 2olm s LYS 66 CO 0.02 0.17 1.53 0.45 -0.92 0.00 0.00 175.35 176.60 2olm s SER 67 N -0.11 6.63 0.20 2.83 0.15 -1.26 -0.42 113.70 121.72 2olm s SER 67 Ca 0.02 2.57 -0.11 0.00 0.70 0.00 0.00 55.95 59.13 2olm s SER 67 Cb -0.04 -2.59 0.14 0.00 -1.71 0.00 0.00 66.02 61.82 2olm s SER 67 CO -0.00 -0.79 1.86 0.40 1.20 0.00 0.00 173.24 175.91 2olm h ILE 68 N 4.04 1.14 0.00 6.45 2.04 -1.49 -2.64 117.51 127.06 2olm h ILE 68 Ca -0.43 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 2olm h ILE 68 Cb 1.21 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2olm h ILE 68 CO 0.90 0.16 -0.87 0.77 0.00 0.00 0.00 178.15 179.12 2olm h SER 69 N 0.89 0.00 0.00 1.72 4.64 -1.91 -3.39 113.55 115.49 2olm h SER 69 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2olm h SER 69 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2olm h SER 69 CO -0.07 0.10 -0.64 0.23 -0.87 0.00 0.00 176.83 175.58 2olm n MET 70 N -2.80 3.32 -3.03 4.77 2.81 -1.22 -5.00 117.12 115.97 2olm n MET 70 Ca -0.01 -0.02 -0.37 0.00 -1.81 0.00 0.00 57.70 55.50 2olm n MET 70 Cb 0.59 -0.95 -0.06 0.00 -0.71 0.00 0.00 33.22 32.09 2olm n MET 70 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2olm s THR 71 N -1.94 4.48 -0.78 2.03 2.01 -1.00 -5.00 115.64 115.44 2olm s THR 71 Ca 0.01 1.44 -0.18 0.00 0.31 0.00 0.00 61.69 63.27 2olm s THR 71 Cb 0.05 -3.92 0.13 0.00 0.01 0.00 0.00 72.50 68.77 2olm s THR 71 CO 0.31 0.24 0.92 -0.89 -0.69 0.00 0.00 174.62 174.51 2olm s THR 72 N -1.48 4.88 0.43 -0.82 2.01 -1.26 -5.00 115.64 114.40 2olm s THR 72 Ca 0.43 -1.45 -0.24 0.00 0.31 0.00 0.00 61.69 60.74 2olm s THR 72 Cb -0.18 -4.62 -0.08 0.00 0.01 0.00 0.00 72.50 67.63 2olm s THR 72 CO 0.22 -1.30 1.16 -0.36 -0.69 0.00 0.00 174.62 173.65 2olm s PHE 73 N 2.35 2.98 0.60 4.92 0.08 -1.26 -5.05 117.98 122.60 2olm s PHE 73 Ca 0.22 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.75 2olm s PHE 73 Cb -0.13 -3.37 0.00 0.00 -0.57 0.00 0.00 43.02 38.95 2olm s PHE 73 CO -0.03 -1.37 0.92 0.95 -0.10 0.00 0.00 175.22 175.59 2olm s THR 74 N -1.49 3.80 0.25 0.64 -4.23 -1.26 -4.92 115.64 108.42 2olm s THR 74 Ca 0.60 0.12 -0.04 0.00 -1.18 0.00 0.00 61.69 61.19 2olm s THR 74 Cb -0.29 -3.51 0.22 0.00 1.34 0.00 0.00 72.50 70.25 2olm s THR 74 CO 0.36 -0.55 1.80 -0.61 -0.54 0.00 0.00 174.62 175.08 2olm h GLN 75 N -0.20 0.72 -0.45 3.99 5.75 -1.96 -1.02 115.11 121.93 2olm h GLN 75 Ca -0.45 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.03 2olm h GLN 75 Cb 1.25 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.60 2olm h GLN 75 CO 0.61 0.48 0.26 1.96 -2.65 0.00 0.00 178.83 179.49 2olm h GLN 76 N 0.74 0.50 -0.30 1.69 4.20 -1.99 -0.64 115.11 119.30 2olm h GLN 76 Ca 0.41 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.06 2olm h GLN 76 Cb 0.42 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2olm h GLN 76 CO -0.27 0.33 0.07 0.93 -0.67 0.00 0.00 178.83 179.22 2olm h GLU 77 N 0.51 0.48 -0.63 1.46 5.08 -1.78 -1.21 114.58 118.49 2olm h GLU 77 Ca 0.19 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2olm h GLU 77 Cb 0.04 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2olm h GLU 77 CO -0.10 0.56 0.38 0.82 -1.00 0.00 0.00 179.01 179.67 2olm h ILE 78 N 0.33 1.05 -0.38 3.13 1.08 -0.98 -1.15 117.51 120.59 2olm h ILE 78 Ca 0.10 -0.25 -0.10 0.00 -0.39 0.00 0.00 64.86 64.22 2olm h ILE 78 Cb 0.29 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 2olm h ILE 78 CO 0.00 0.13 -0.16 -0.33 -0.69 0.00 0.00 178.15 177.10 2olm h GLU 79 N 0.73 0.70 -0.42 2.37 5.08 -0.99 -0.62 114.58 121.43 2olm h GLU 79 Ca 0.26 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2olm h GLU 79 Cb 0.07 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2olm h GLU 79 CO -0.12 0.83 0.26 0.35 -1.00 0.00 0.00 179.01 179.32 2olm h PHE 80 N 0.63 0.48 -0.62 4.33 3.57 -0.80 -2.16 116.94 122.37 2olm h PHE 80 Ca 0.10 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 2olm h PHE 80 Cb 0.63 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2olm h PHE 80 CO 0.03 0.29 0.25 -0.07 -2.23 0.00 0.00 178.31 176.57 2olm h LEU 81 N 0.52 0.83 -1.39 0.59 3.38 -0.73 -1.99 115.31 116.52 2olm h LEU 81 Ca 0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2olm h LEU 81 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2olm h LEU 81 CO -0.07 0.75 0.13 1.56 0.09 0.00 0.00 178.44 180.90 2olm h GLN 82 N 0.90 0.54 -0.00 1.13 4.20 -0.74 -1.87 115.11 119.27 2olm h GLN 82 Ca 0.21 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2olm h GLN 82 Cb 0.18 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2olm h GLN 82 CO -0.02 0.47 -0.15 1.63 -0.67 0.00 0.00 178.83 180.09 2olm n LYS 83 N -4.37 0.06 0.00 1.46 5.02 -0.85 -4.81 118.16 114.67 2olm n LYS 83 Ca 0.02 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2olm n LYS 83 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2olm n LYS 83 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2olm n HIS 84 N -1.46 0.00 0.00 2.13 8.25 -0.72 -4.97 115.22 118.46 2olm n HIS 84 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2olm n HIS 84 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 2olm n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2olm n GLY 85 N 4.95 -1.45 0.18 -1.41 0.00 0.11 -4.30 105.19 103.27 2olm n GLY 85 Ca 0.00 -1.56 0.03 0.00 0.00 0.00 0.00 46.02 44.50 2olm n GLY 85 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2olm h ASN 86 N 0.00 0.00 -0.00 1.61 2.35 -1.84 -0.66 115.58 117.03 2olm h ASN 86 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2olm h ASN 86 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2olm h ASN 86 CO 0.00 0.44 -0.00 -0.08 -1.65 0.00 0.00 177.43 176.13 2olm h GLU 87 N 0.00 0.00 -0.45 0.81 4.81 -1.86 -0.49 114.58 117.40 2olm h GLU 87 Ca -0.00 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 2olm h GLU 87 Cb 0.89 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 2olm h GLU 87 CO 0.06 0.64 0.17 0.28 -0.73 0.00 0.00 179.01 179.43 2olm h VAL 88 N -0.63 0.87 -0.56 0.32 2.07 -1.72 -2.31 116.25 114.28 2olm h VAL 88 Ca -0.00 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2olm h VAL 88 Cb 0.64 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2olm h VAL 88 CO 0.00 0.06 0.20 0.00 0.02 0.00 0.00 177.57 177.85 2olm h LYS 90 N 0.81 1.01 0.00 0.00 3.64 -0.55 0.84 116.57 122.32 2olm h LYS 90 Ca 0.19 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2olm h LYS 90 Cb 0.20 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2olm h LYS 90 CO -0.01 0.67 -0.16 1.96 -2.27 0.00 0.00 179.45 179.64 2olm h GLN 91 N 1.05 0.00 0.00 1.90 4.20 -1.07 -1.10 115.11 120.08 2olm h GLN 91 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 2olm h GLN 91 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2olm h GLN 91 CO -0.09 0.16 0.00 -0.89 -0.67 0.00 0.00 178.83 177.34 2olm n ILE 92 N -4.24 0.00 0.21 2.54 5.41 -0.90 -3.42 119.36 118.96 2olm n ILE 92 Ca -0.02 0.48 0.09 0.00 1.00 0.00 0.00 62.75 64.30 2olm n ILE 92 Cb 0.23 -1.46 0.38 0.00 -0.71 0.00 0.00 39.64 38.08 2olm n ILE 92 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2olm h TRP 93 N 0.00 0.00 0.00 1.39 4.06 -0.97 -0.38 115.95 120.05 2olm h TRP 93 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 2olm h TRP 93 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 2olm h TRP 93 CO 0.00 0.23 -0.33 1.28 -3.56 0.00 0.00 178.44 176.06 2olm n LEU 94 N -3.32 2.25 0.26 -4.49 4.77 -0.59 -4.24 117.00 111.65 2olm n LEU 94 Ca 0.01 -3.22 0.11 0.00 -0.03 0.00 0.00 56.01 52.87 2olm n LEU 94 Cb 0.48 -0.41 0.72 0.00 -2.33 0.00 0.00 43.42 41.87 2olm n LEU 94 CO 0.34 0.97 1.03 1.23 -1.33 0.00 0.00 177.39 179.63 2olm h GLY 95 N 0.51 0.00 -1.07 -0.72 0.00 -0.28 -2.08 103.07 99.43 2olm h GLY 95 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2olm h GLY 95 CO 0.01 0.00 -0.24 1.04 0.00 0.00 0.00 176.54 177.35 2olm n LEU 96 N -4.09 2.05 -4.73 3.11 4.77 0.04 -4.94 117.00 113.20 2olm n LEU 96 Ca -0.03 -0.85 -0.41 0.00 -0.03 0.00 0.00 56.01 54.69 2olm n LEU 96 Cb 0.15 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 2olm n LEU 96 CO 0.32 0.37 0.80 0.12 -1.33 0.00 0.00 177.39 177.67 2olm s PHE 97 N -1.89 3.57 -0.28 -1.77 5.36 -0.78 -4.99 117.98 117.19 2olm s PHE 97 Ca 0.17 1.55 -0.11 0.00 -0.96 0.00 0.00 56.93 57.59 2olm s PHE 97 Cb 0.15 -3.29 -0.04 0.00 -0.34 0.00 0.00 43.02 39.49 2olm s PHE 97 CO 0.38 -0.70 0.17 0.34 -1.46 0.00 0.00 175.22 173.95 2olm s ASP 98 N 0.17 5.88 0.37 6.13 2.15 -1.26 -4.98 116.67 125.13 2olm s ASP 98 Ca 0.51 -0.08 0.27 0.00 0.43 0.00 0.00 52.55 53.68 2olm s ASP 98 Cb -0.29 -2.09 1.27 0.00 -0.30 0.00 0.00 42.92 41.51 2olm s ASP 98 CO 0.33 -0.06 1.81 0.44 -0.17 0.00 0.00 175.17 177.52 2olm h ASP 99 N 8.36 0.00 0.67 -0.34 3.32 -1.96 -0.49 116.42 125.98 2olm h ASP 99 Ca -0.35 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.43 2olm h ASP 99 Cb 1.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 2olm h ASP 99 CO 0.56 0.00 -1.35 0.03 -1.72 0.00 0.00 179.24 176.76 2olm h ARG 100 N 0.00 0.11 0.00 3.56 3.08 -2.04 -3.44 114.38 115.64 2olm h ARG 100 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2olm h ARG 100 Cb 0.22 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2olm h ARG 100 CO 0.00 0.95 0.00 -1.13 -1.07 0.00 0.00 179.97 178.72 2olm n SER 101 N -3.33 0.00 -4.72 7.04 3.41 -0.96 -5.11 113.62 109.95 2olm n SER 101 Ca -0.10 -1.00 -0.32 0.00 -0.26 0.00 0.00 58.87 57.19 2olm n SER 101 Cb 1.01 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 65.07 2olm n SER 101 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2olm s SER 102 N 0.00 3.91 -0.16 4.04 0.01 -0.23 -4.86 113.70 116.40 2olm s SER 102 Ca 0.00 2.11 -0.29 0.00 1.31 0.00 0.00 55.95 59.08 2olm s SER 102 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 2olm s SER 102 CO 0.00 -2.44 1.42 0.00 0.41 0.00 0.00 173.24 172.63 2olm s ALA 103 N -2.52 3.56 0.13 1.44 0.00 -1.26 -4.98 121.76 118.13 2olm s ALA 103 Ca 0.67 0.54 0.08 0.00 0.00 0.00 0.00 51.96 53.26 2olm s ALA 103 Cb -0.22 -3.70 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 2olm s ALA 103 CO 0.52 -1.41 -0.19 0.96 0.00 0.00 0.00 175.76 175.64 2olm s ILE 104 N 3.99 1.73 0.69 0.00 -4.36 -1.26 -5.10 121.20 116.89 2olm s ILE 104 Ca 0.62 -1.70 -0.09 0.00 -0.26 0.00 0.00 60.65 59.22 2olm s ILE 104 Cb -0.25 -1.66 0.04 0.00 1.25 0.00 0.00 42.46 41.84 2olm s ILE 104 CO 0.22 -0.19 1.04 -2.16 0.24 0.00 0.00 174.94 174.08 2olm s PRO 105 N -2.31 2.51 -0.35 0.37 0.04 -1.26 -5.00 135.00 129.01 2olm s PRO 105 Ca 0.10 0.06 -0.29 0.00 0.04 0.00 0.00 61.00 60.91 2olm s PRO 105 Cb -0.08 -2.12 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 2olm s PRO 105 CO 0.05 -1.11 1.55 0.34 0.04 0.00 0.00 177.00 177.87 2olm s ASP 106 N -4.43 6.23 0.00 6.66 2.15 -1.26 -4.89 116.67 121.13 2olm s ASP 106 Ca 0.58 1.11 0.15 0.00 0.43 0.00 0.00 52.55 54.82 2olm s ASP 106 Cb -0.11 -2.53 0.71 0.00 -0.30 0.00 0.00 42.92 40.69 2olm s ASP 106 CO 0.47 -1.46 1.45 0.49 -0.17 0.00 0.00 175.17 175.95 2olm n PHE 107 N 9.12 0.00 0.76 -5.34 3.72 -1.26 -1.76 117.46 122.70 2olm n PHE 107 Ca 0.19 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.72 2olm n PHE 107 Cb 0.47 -0.39 0.49 0.00 -0.94 0.00 0.00 39.48 39.12 2olm n PHE 107 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2olm n ARG 108 N -1.39 0.14 -3.52 -1.08 3.00 -1.26 -4.64 116.66 107.92 2olm n ARG 108 Ca 0.06 0.14 -0.42 0.00 -0.01 0.00 0.00 57.85 57.62 2olm n ARG 108 Cb 0.15 -1.67 -0.10 0.00 0.00 0.00 0.00 32.46 30.83 2olm n ARG 108 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2olm s ASP 109 N -3.83 5.91 0.38 0.55 -1.08 -0.72 -5.00 116.67 112.87 2olm s ASP 109 Ca 0.11 -1.14 0.10 0.00 -0.52 0.00 0.00 52.55 51.10 2olm s ASP 109 Cb 0.15 -2.09 0.86 0.00 -1.46 0.00 0.00 42.92 40.37 2olm s ASP 109 CO 0.54 -0.49 1.92 -0.65 0.52 0.00 0.00 175.17 177.01 2olm h PRO 110 N 8.55 0.62 -0.55 4.34 0.11 -1.85 -1.69 132.00 141.53 2olm h PRO 110 Ca -0.26 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 2olm h PRO 110 Cb 1.11 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 2olm h PRO 110 CO 0.75 0.41 -0.05 1.96 -0.21 0.00 0.00 178.00 180.85 2olm h GLN 111 N 0.63 1.00 -0.10 1.05 7.50 -1.94 -1.11 115.11 122.14 2olm h GLN 111 Ca 0.37 -0.35 -0.19 0.00 0.50 0.00 0.00 58.65 58.99 2olm h GLN 111 Cb 0.57 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.02 2olm h GLN 111 CO -0.14 1.02 -0.72 0.87 -1.50 0.00 0.00 178.83 178.37 2olm h LYS 112 N 0.88 0.47 -0.39 1.46 1.79 -1.83 -2.58 116.57 116.37 2olm h LYS 112 Ca 0.15 -0.38 -0.05 0.00 -2.18 0.00 0.00 60.65 58.20 2olm h LYS 112 Cb 0.61 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 2olm h LYS 112 CO 0.04 1.01 0.06 0.28 -1.08 0.00 0.00 179.45 179.75 2olm h VAL 113 N 0.33 1.24 -0.29 0.50 2.07 -1.19 -1.43 116.25 117.48 2olm h VAL 113 Ca -0.03 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.69 2olm h VAL 113 Cb 1.29 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 32.05 2olm h VAL 113 CO 0.13 0.29 -0.17 0.50 0.02 0.00 0.00 177.57 178.34 2olm h LYS 114 N 0.49 -0.14 -0.95 1.57 3.64 -1.16 0.00 116.57 120.03 2olm h LYS 114 Ca 0.12 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2olm h LYS 114 Cb 0.37 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 2olm h LYS 114 CO 0.01 -0.09 0.58 0.93 -2.27 0.00 0.00 179.45 178.61 2olm h GLU 115 N -0.14 1.28 -0.22 1.90 5.08 -1.26 0.14 114.58 121.36 2olm h GLU 115 Ca 0.15 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2olm h GLU 115 Cb 0.38 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2olm h GLU 115 CO -0.38 0.88 0.07 0.35 -1.00 0.00 0.00 179.01 178.94 2olm h PHE 116 N 1.30 0.36 -0.47 4.33 3.57 -0.67 -1.14 116.94 124.22 2olm h PHE 116 Ca 0.34 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 2olm h PHE 116 Cb -0.08 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2olm h PHE 116 CO 0.00 0.42 0.06 -0.07 -2.23 0.00 0.00 178.31 176.50 2olm h LEU 117 N 0.19 0.70 -0.48 0.59 3.38 -0.64 0.28 115.31 119.33 2olm h LEU 117 Ca 0.07 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2olm h LEU 117 Cb 0.23 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2olm h LEU 117 CO -0.00 0.73 0.31 1.56 0.09 0.00 0.00 178.44 181.12 2olm h GLN 118 N 0.71 0.60 -0.43 1.13 4.20 -0.80 -0.44 115.11 120.09 2olm h GLN 118 Ca 0.15 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 2olm h GLN 118 Cb 0.34 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2olm h GLN 118 CO 0.01 0.40 0.05 0.93 -0.67 0.00 0.00 178.83 179.54 2olm h GLU 119 N 0.62 0.67 0.04 1.46 5.08 -0.44 0.10 114.58 122.11 2olm h GLU 119 Ca 0.18 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2olm h GLU 119 Cb -0.04 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2olm h GLU 119 CO -0.06 0.65 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.36 2olm h LYS 120 N 0.64 -0.06 0.00 2.33 3.64 -0.61 0.33 116.57 122.84 2olm h LYS 120 Ca 0.14 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.17 2olm h LYS 120 Cb 0.33 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 2olm h LYS 120 CO 0.01 0.48 -2.34 0.66 -2.27 0.00 0.00 179.45 175.99 2olm n TYR 121 N -4.85 0.00 -0.10 1.91 4.01 -0.20 -3.84 117.16 114.09 2olm n TYR 121 Ca -0.09 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.50 2olm n TYR 121 Cb 0.28 -0.94 -0.06 0.00 -0.31 0.00 0.00 39.34 38.31 2olm n TYR 121 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2olm n GLU 122 N -2.92 0.53 0.16 -0.72 1.02 -0.18 -4.44 120.64 114.09 2olm n GLU 122 Ca -0.36 0.43 0.12 0.00 -0.02 0.00 0.00 57.16 57.33 2olm n GLU 122 Cb 1.05 -1.62 0.26 0.00 -0.02 0.00 0.00 31.44 31.11 2olm n GLU 122 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2olm h LYS 123 N -1.00 0.00 -5.62 3.49 1.57 -0.99 -3.48 116.57 110.54 2olm h LYS 123 Ca -0.24 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.20 2olm h LYS 123 Cb 1.05 0.00 0.16 0.00 0.08 0.00 0.00 32.23 33.52 2olm h LYS 123 CO -0.14 0.00 -0.73 1.63 -0.57 0.00 0.00 179.45 179.63 2olm n LYS 124 N -2.67 -6.82 -0.02 3.15 5.02 -0.34 -4.90 118.16 111.58 2olm n LYS 124 Ca 0.04 0.83 0.02 0.00 -2.02 0.00 0.00 58.31 57.18 2olm n LYS 124 Cb 0.48 -5.81 0.36 0.00 -0.02 0.00 0.00 35.03 30.04 2olm n LYS 124 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2olm h ARG 125 N -2.05 0.58 -0.07 1.97 2.43 -1.20 -3.06 114.38 112.98 2olm h ARG 125 Ca -0.57 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 58.51 2olm h ARG 125 Cb 1.34 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 2olm h ARG 125 CO 0.50 0.46 -0.13 0.91 -1.51 0.00 0.00 179.97 180.20 2olm n TRP 126 N -4.39 0.24 -3.23 2.20 8.01 -1.26 -4.97 117.44 114.03 2olm n TRP 126 Ca 0.03 -1.17 -0.39 0.00 -1.31 0.00 0.00 57.50 54.67 2olm n TRP 126 Cb 0.13 -0.23 -0.06 0.00 -2.01 0.00 0.00 31.31 29.14 2olm n TRP 126 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 2olm s TYR 127 N -3.00 3.73 -0.13 -5.99 5.04 -1.16 -0.78 117.35 115.06 2olm s TYR 127 Ca 0.36 1.23 0.02 0.00 -2.44 0.00 0.00 57.07 56.24 2olm s TYR 127 Cb 0.32 -2.57 0.00 0.00 0.35 0.00 0.00 41.96 40.07 2olm s TYR 127 CO 0.01 0.44 -0.21 0.08 -1.34 0.00 0.00 175.55 174.53 2olm s VAL 128 N -0.53 2.20 0.47 3.14 1.01 -0.17 -4.81 120.40 121.71 2olm s VAL 128 Ca 0.30 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 2olm s VAL 128 Cb -0.19 -1.88 -0.08 0.00 0.00 0.00 0.00 36.38 34.24 2olm s VAL 128 CO 0.18 0.55 1.27 -2.65 0.00 0.00 0.00 175.10 174.45 2olm n PRO 129 N 3.89 1.80 -0.24 2.72 -0.02 -1.26 -4.43 135.00 137.46 2olm n PRO 129 Ca -0.19 0.65 0.16 0.00 -2.02 0.00 0.00 63.50 62.10 2olm n PRO 129 Cb 0.52 -2.42 0.47 0.00 -0.02 0.00 0.00 33.50 32.05 2olm n PRO 129 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2olm h PRO 130 N 1.79 0.47 -0.58 0.52 0.11 -1.94 0.08 132.00 132.44 2olm h PRO 130 Ca -0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2olm h PRO 130 Cb 1.30 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2olm h PRO 130 CO 0.58 0.31 0.30 0.93 -0.21 0.00 0.00 178.00 179.92 2olm h GLU 131 N 0.49 0.83 -0.18 1.05 3.07 -2.00 -1.67 114.58 116.17 2olm h GLU 131 Ca 0.45 -0.11 -0.12 0.00 -0.50 0.00 0.00 59.36 59.07 2olm h GLU 131 Cb 0.98 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 2olm h GLU 131 CO -0.18 0.66 -0.37 0.37 -1.40 0.00 0.00 179.01 178.09 2olm h GLN 132 N 0.79 0.57 -0.96 2.33 4.15 -1.65 -3.25 115.11 117.09 2olm h GLN 132 Ca 0.20 -0.37 0.08 0.00 0.77 0.00 0.00 58.65 59.33 2olm h GLN 132 Cb 0.09 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.75 2olm h GLN 132 CO -0.03 0.98 0.61 0.00 -1.93 0.00 0.00 178.83 178.46 2olm h ALA 133 N 0.59 1.36 -0.29 3.38 0.00 -0.84 -2.09 119.26 121.36 2olm h ALA 133 Ca 0.01 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2olm h ALA 133 Cb 0.97 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2olm h ALA 133 CO 0.08 0.32 -0.21 1.57 0.00 0.00 0.00 179.25 181.01 2olm h LYS 134 N 1.06 0.54 -0.01 0.00 -0.00 -1.39 -3.49 116.57 113.28 2olm h LYS 134 Ca 0.44 -0.19 0.00 0.00 -0.00 0.00 0.00 60.65 60.89 2olm h LYS 134 Cb 0.27 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 32.46 2olm h LYS 134 CO -0.20 0.72 0.00 0.28 -0.00 0.00 0.00 179.45 180.25