#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ndp s LEU 5 N 0.00 4.11 0.05 3.14 1.43 -1.26 -5.05 118.68 121.10 3ndp s LEU 5 Ca 0.00 1.41 -0.23 0.00 -1.03 0.00 0.00 54.13 54.28 3ndp s LEU 5 Cb 0.00 -4.07 -0.06 0.00 0.03 0.00 0.00 46.19 42.09 3ndp s LEU 5 CO 0.00 -0.18 0.71 -0.22 0.23 0.00 0.00 176.35 176.88 3ndp s LEU 6 N -2.78 4.47 -0.28 1.79 2.96 -1.26 -4.98 118.68 118.61 3ndp s LEU 6 Ca 0.53 1.39 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 3ndp s LEU 6 Cb -0.12 -3.13 0.08 0.00 0.50 0.00 0.00 46.19 43.53 3ndp s LEU 6 CO 0.18 0.09 0.04 -0.13 -1.32 0.00 0.00 176.35 175.21 3ndp s ARG 7 N -0.36 1.08 -0.02 1.98 3.00 -1.26 0.18 118.95 123.55 3ndp s ARG 7 Ca 0.35 -1.09 0.07 0.00 0.00 0.00 0.00 55.73 55.06 3ndp s ARG 7 Cb -0.20 -2.37 -0.02 0.00 0.00 0.00 0.00 34.95 32.36 3ndp s ARG 7 CO 0.22 -0.83 -0.23 0.00 0.00 0.00 0.00 175.30 174.46 3ndp s ALA 8 N 1.47 1.94 -0.00 2.13 0.00 -0.15 -0.06 121.76 127.09 3ndp s ALA 8 Ca 0.04 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.07 3ndp s ALA 8 Cb -0.18 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 3ndp s ALA 8 CO -0.15 0.46 -0.22 0.08 0.00 0.00 0.00 175.76 175.93 3ndp s VAL 9 N -0.50 1.76 -0.11 0.00 1.01 0.13 0.16 120.40 122.85 3ndp s VAL 9 Ca 0.08 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3ndp s VAL 9 Cb -0.09 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.83 3ndp s VAL 9 CO -0.00 0.44 -0.14 -0.63 0.00 0.00 0.00 175.10 174.77 3ndp s ILE 10 N -0.58 1.41 0.21 2.22 -1.09 0.57 0.01 121.20 123.94 3ndp s ILE 10 Ca 0.09 -0.58 0.09 0.00 -2.23 0.00 0.00 60.65 58.02 3ndp s ILE 10 Cb -0.09 -1.31 -0.05 0.00 -1.58 0.00 0.00 42.46 39.44 3ndp s ILE 10 CO -0.00 0.42 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.20 3ndp s LEU 11 N 1.10 2.53 0.00 2.97 1.43 0.82 -0.50 118.68 127.03 3ndp s LEU 11 Ca -0.05 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 3ndp s LEU 11 Cb -0.14 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.27 3ndp s LEU 11 CO -0.03 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.08 3ndp n GLY 12 N -0.22 3.60 3.84 -3.19 0.00 -1.26 -0.25 105.19 107.70 3ndp n GLY 12 Ca -0.09 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 3ndp n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ndp s PRO 13 N -1.97 2.77 0.36 1.61 0.04 -1.26 -4.94 135.00 131.61 3ndp s PRO 13 Ca 0.00 0.70 -0.28 0.00 0.04 0.00 0.00 61.00 61.46 3ndp s PRO 13 Cb 0.00 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 3ndp s PRO 13 CO 0.00 -1.15 1.38 -2.30 0.04 0.00 0.00 177.00 174.96 3ndp n PRO 14 N -3.13 2.36 -0.24 0.56 -0.02 -1.26 -1.99 135.00 131.29 3ndp n PRO 14 Ca 0.07 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3ndp n PRO 14 Cb 0.55 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3ndp n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ndp n GLY 15 N 0.63 0.75 0.50 -1.23 0.00 -1.26 -4.69 105.19 99.89 3ndp n GLY 15 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3ndp n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ndp n SER 16 N 0.00 1.55 0.00 1.61 3.41 -0.84 -4.80 113.62 114.55 3ndp n SER 16 Ca 0.00 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 3ndp n SER 16 Cb 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3ndp n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ndp n GLY 17 N 1.16 0.40 0.31 5.00 0.00 -1.24 -4.21 105.19 106.61 3ndp n GLY 17 Ca 0.18 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 3ndp n GLY 17 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ndp h LYS 18 N 0.17 0.88 -0.07 1.61 3.64 -1.91 -1.72 116.57 119.17 3ndp h LYS 18 Ca 0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3ndp h LYS 18 Cb 0.00 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3ndp h LYS 18 CO 0.00 0.77 0.05 0.78 -2.27 0.00 0.00 179.45 178.78 3ndp h GLY 19 N 0.99 0.10 1.02 5.01 0.00 -1.97 -0.29 103.07 107.92 3ndp h GLY 19 Ca 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 3ndp h GLY 19 CO -0.00 0.04 0.48 -0.84 0.00 0.00 0.00 176.54 176.21 3ndp h THR 20 N 0.09 1.24 -0.35 4.70 2.02 -1.91 -1.88 112.91 116.83 3ndp h THR 20 Ca 0.03 -0.59 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 3ndp h THR 20 Cb -0.01 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 3ndp h THR 20 CO -0.01 0.27 0.03 0.58 0.37 0.00 0.00 175.52 176.76 3ndp h VAL 21 N 1.18 1.25 -0.72 3.16 2.07 -1.03 -2.15 116.25 120.01 3ndp h VAL 21 Ca 0.30 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 3ndp h VAL 21 Cb 0.01 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3ndp h VAL 21 CO -0.05 0.30 0.27 0.00 0.02 0.00 0.00 177.57 178.11 3ndp h GLN 23 N 1.04 0.59 -0.70 0.00 4.15 -1.28 -0.96 115.11 117.95 3ndp h GLN 23 Ca 0.24 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 3ndp h GLN 23 Cb 0.24 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 3ndp h GLN 23 CO -0.02 0.59 0.30 0.00 -1.93 0.00 0.00 178.83 177.78 3ndp h ARG 24 N 0.47 1.01 -0.35 1.69 3.08 -1.08 -1.35 114.38 117.84 3ndp h ARG 24 Ca 0.12 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3ndp h ARG 24 Cb 0.24 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3ndp h ARG 24 CO -0.01 0.80 0.07 0.82 -1.07 0.00 0.00 179.97 180.59 3ndp h ILE 25 N 0.99 1.23 -0.34 2.04 2.04 -0.78 -1.63 117.51 121.07 3ndp h ILE 25 Ca 0.24 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.32 3ndp h ILE 25 Cb 0.15 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3ndp h ILE 25 CO -0.03 0.27 0.20 0.00 0.00 0.00 0.00 178.15 178.59 3ndp h ALA 26 N 0.92 0.42 -0.14 1.87 0.00 -0.80 0.18 119.26 121.71 3ndp h ALA 26 Ca 0.11 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3ndp h ALA 26 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ndp h ALA 26 CO 0.00 -0.16 -0.58 -0.56 0.00 0.00 0.00 179.25 177.96 3ndp h GLN 27 N 0.40 0.44 0.00 0.00 3.07 -1.18 0.91 115.11 118.74 3ndp h GLN 27 Ca 0.13 -0.29 -0.02 0.00 0.09 0.00 0.00 58.65 58.56 3ndp h GLN 27 Cb 0.00 0.04 -0.00 0.00 0.08 0.00 0.00 27.48 27.60 3ndp h GLN 27 CO -0.06 0.89 -0.75 -0.91 0.09 0.00 0.00 178.83 178.08 3ndp h ASN 28 N 0.33 0.00 0.00 0.06 4.21 -1.20 -3.38 115.58 115.60 3ndp h ASN 28 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3ndp h ASN 28 Cb 1.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 3ndp h ASN 28 CO 0.10 0.09 0.00 0.49 -1.29 0.00 0.00 177.43 176.82 3ndp n PHE 29 N -2.84 0.00 -3.40 1.19 3.72 0.04 -1.55 117.46 114.62 3ndp n PHE 29 Ca 0.00 -0.12 -0.24 0.00 -0.05 0.00 0.00 57.45 57.04 3ndp n PHE 29 Cb 0.59 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 39.17 3ndp n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ndp n GLY 30 N -0.12 -0.53 3.83 1.37 0.00 0.30 -4.78 105.19 105.25 3ndp n GLY 30 Ca 0.00 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3ndp n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ndp s LEU 31 N -7.04 4.09 0.06 0.99 1.43 -1.17 -2.09 118.68 114.96 3ndp s LEU 31 Ca 0.48 0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 53.54 3ndp s LEU 31 Cb -0.22 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 3ndp s LEU 31 CO 0.59 0.30 1.13 -1.58 0.23 0.00 0.00 176.35 177.03 3ndp s GLN 32 N -1.59 4.49 -0.55 1.70 0.74 -1.26 -4.44 119.66 118.75 3ndp s GLN 32 Ca 0.22 1.67 -0.28 0.00 0.05 0.00 0.00 55.36 57.02 3ndp s GLN 32 Cb -0.12 -3.37 0.02 0.00 1.10 0.00 0.00 33.01 30.65 3ndp s GLN 32 CO 0.12 -0.16 1.28 -1.58 -0.55 0.00 0.00 175.29 174.41 3ndp s HIS 33 N 0.86 2.50 0.08 1.67 5.65 -1.26 -3.84 115.29 120.93 3ndp s HIS 33 Ca 0.56 0.47 0.03 0.00 0.25 0.00 0.00 55.06 56.37 3ndp s HIS 33 Cb -0.27 -4.46 -0.04 0.00 -1.18 0.00 0.00 32.58 26.63 3ndp s HIS 33 CO 0.30 -1.73 0.06 -0.51 -0.65 0.00 0.00 174.74 172.21 3ndp s LEU 34 N 5.33 3.72 -0.07 8.88 1.43 -0.45 -4.99 118.68 132.53 3ndp s LEU 34 Ca 0.48 -0.04 -0.31 0.00 -1.03 0.00 0.00 54.13 53.23 3ndp s LEU 34 Cb -0.09 -2.39 0.11 0.00 0.03 0.00 0.00 46.19 43.85 3ndp s LEU 34 CO 0.26 0.18 0.99 -0.94 0.23 0.00 0.00 176.35 177.08 3ndp s SER 35 N -2.31 -0.29 0.41 2.29 1.04 -1.26 -0.63 113.70 112.95 3ndp s SER 35 Ca 0.28 0.01 0.14 0.00 0.48 0.00 0.00 55.95 56.85 3ndp s SER 35 Cb -0.12 0.30 0.88 0.00 0.10 0.00 0.00 66.02 67.18 3ndp s SER 35 CO 0.20 -0.49 1.91 0.77 0.98 0.00 0.00 173.24 176.62 3ndp h SER 36 N 2.01 0.00 -0.36 7.02 4.64 -1.91 -2.16 113.55 122.79 3ndp h SER 36 Ca -0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 3ndp h SER 36 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3ndp h SER 36 CO 0.28 0.27 0.17 1.23 -0.87 0.00 0.00 176.83 177.92 3ndp h GLY 37 N 0.83 0.56 0.90 -0.77 0.00 -1.69 0.93 103.07 103.82 3ndp h GLY 37 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3ndp h GLY 37 CO 0.04 0.26 0.09 0.45 0.00 0.00 0.00 176.54 177.37 3ndp h HIS 38 N 0.45 0.31 -0.64 5.60 -0.00 -1.70 -1.61 115.15 117.55 3ndp h HIS 38 Ca 0.12 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.42 3ndp h HIS 38 Cb 0.12 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.40 3ndp h HIS 38 CO -0.02 0.34 0.19 0.74 -0.00 0.00 0.00 177.93 179.18 3ndp h PHE 39 N 0.19 1.01 -0.19 2.45 0.05 -1.31 -2.36 116.94 116.78 3ndp h PHE 39 Ca 0.07 -0.09 -0.01 0.00 3.82 0.00 0.00 57.97 61.75 3ndp h PHE 39 Cb 0.16 -0.30 -0.01 0.00 2.00 0.00 0.00 35.95 37.81 3ndp h PHE 39 CO -0.01 0.82 0.07 -0.07 -0.18 0.00 0.00 178.31 178.93 3ndp h LEU 40 N 0.95 0.26 0.10 1.54 3.38 -0.66 -0.61 115.31 120.26 3ndp h LEU 40 Ca 0.21 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3ndp h LEU 40 Cb 0.29 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3ndp h LEU 40 CO -0.01 0.37 -0.39 -0.09 0.09 0.00 0.00 178.44 178.42 3ndp h ARG 41 N 0.14 -0.58 -0.38 1.13 2.43 -0.90 -0.93 114.38 115.28 3ndp h ARG 41 Ca 0.06 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3ndp h ARG 41 Cb 0.20 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3ndp h ARG 41 CO -0.00 -0.39 0.25 0.93 -1.51 0.00 0.00 179.97 179.25 3ndp h GLU 42 N -0.60 0.51 0.00 0.20 5.08 -1.38 -0.81 114.58 117.57 3ndp h GLU 42 Ca 0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3ndp h GLU 42 Cb 0.64 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3ndp h GLU 42 CO -0.24 0.35 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.15 3ndp h ASN 43 N 0.51 0.00 1.08 1.42 4.21 -0.97 -0.11 115.58 121.73 3ndp h ASN 43 Ca 0.14 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.50 3ndp h ASN 43 Cb -0.05 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.13 3ndp h ASN 43 CO -0.03 0.06 -0.97 0.40 -1.29 0.00 0.00 177.43 175.60 3ndp h ILE 44 N 0.00 0.81 -0.10 2.81 2.04 -0.48 -0.44 117.51 122.15 3ndp h ILE 44 Ca -0.00 -2.27 -0.10 0.00 1.00 0.00 0.00 64.86 63.49 3ndp h ILE 44 Cb 0.20 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 3ndp h ILE 44 CO 0.01 0.46 -0.32 0.11 0.00 0.00 0.00 178.15 178.41 3ndp h LYS 45 N 0.00 0.38 -0.23 2.37 1.57 0.34 -3.01 116.57 118.00 3ndp h LYS 45 Ca -0.08 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3ndp h LYS 45 Cb 1.53 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.89 3ndp h LYS 45 CO 0.06 0.91 0.00 0.00 -0.57 0.00 0.00 179.45 179.85 3ndp n ALA 46 N -2.50 2.51 -4.32 3.86 0.00 -0.32 -4.90 120.51 114.83 3ndp n ALA 46 Ca -0.08 -0.27 -0.34 0.00 0.00 0.00 0.00 53.44 52.75 3ndp n ALA 46 Cb 0.49 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 3ndp n ALA 46 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ndp n SER 47 N -0.05 -0.39 -3.75 0.00 7.64 -1.07 -4.92 113.62 111.07 3ndp n SER 47 Ca 0.05 -1.21 -0.30 0.00 1.01 0.00 0.00 58.87 58.42 3ndp n SER 47 Cb 0.16 -1.92 0.25 0.00 -1.01 0.00 0.00 64.21 61.68 3ndp n SER 47 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ndp s THR 48 N -3.92 1.55 0.02 0.44 -4.23 -0.20 -4.74 115.64 104.56 3ndp s THR 48 Ca 0.30 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.55 3ndp s THR 48 Cb -0.17 -2.45 -0.17 0.00 1.34 0.00 0.00 72.50 71.05 3ndp s THR 48 CO 0.98 0.00 1.33 -0.08 -0.54 0.00 0.00 174.62 176.31 3ndp h GLU 49 N -2.69 -0.28 -0.57 3.99 4.81 -1.91 -1.42 114.58 116.51 3ndp h GLU 49 Ca -0.45 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 3ndp h GLU 49 Cb 1.30 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 3ndp h GLU 49 CO 0.33 0.02 0.04 0.28 -0.73 0.00 0.00 179.01 178.95 3ndp h VAL 50 N -0.61 1.25 -0.28 0.32 2.07 -1.93 -2.41 116.25 114.67 3ndp h VAL 50 Ca -0.03 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.51 3ndp h VAL 50 Cb 0.44 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3ndp h VAL 50 CO 0.05 0.38 -0.06 1.23 0.02 0.00 0.00 177.57 179.19 3ndp h GLY 51 N 1.01 0.21 1.70 2.17 0.00 -1.69 0.47 103.07 106.94 3ndp h GLY 51 Ca 0.17 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 3ndp h GLY 51 CO 0.02 -0.10 -0.04 0.83 0.00 0.00 0.00 176.54 177.25 3ndp h GLU 52 N 0.02 0.37 -0.42 4.80 5.08 -1.08 0.28 114.58 123.63 3ndp h GLU 52 Ca 0.13 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 3ndp h GLU 52 Cb 0.20 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3ndp h GLU 52 CO -0.27 0.44 -0.29 1.98 -1.00 0.00 0.00 179.01 179.86 3ndp h MET 53 N 0.36 0.95 -0.04 2.33 4.05 -0.77 -2.79 114.93 119.02 3ndp h MET 53 Ca 0.08 -0.45 -0.15 0.00 -0.28 0.00 0.00 59.70 58.89 3ndp h MET 53 Cb 0.31 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 3ndp h MET 53 CO 0.01 1.12 -0.65 0.00 0.23 0.00 0.00 176.91 177.62 3ndp h ALA 54 N 0.81 0.83 -0.91 0.39 0.00 -0.50 -3.14 119.26 116.74 3ndp h ALA 54 Ca 0.08 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.52 3ndp h ALA 54 Cb 0.88 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 3ndp h ALA 54 CO 0.08 0.77 0.55 1.57 0.00 0.00 0.00 179.25 182.23 3ndp h LYS 55 N 0.12 0.88 -0.90 0.00 2.10 -0.19 -2.20 116.57 116.39 3ndp h LYS 55 Ca -0.01 -0.05 0.21 0.00 -2.00 0.00 0.00 60.65 58.80 3ndp h LYS 55 Cb 1.17 -0.20 -0.12 0.00 -0.90 0.00 0.00 32.23 32.18 3ndp h LYS 55 CO 0.10 0.59 0.42 1.96 -2.00 0.00 0.00 179.45 180.51 3ndp h GLN 56 N 0.91 0.43 0.04 0.07 4.20 -1.46 -1.85 115.11 117.45 3ndp h GLN 56 Ca 0.44 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 59.05 3ndp h GLN 56 Cb 0.39 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3ndp h GLN 56 CO -0.25 0.29 -0.37 1.88 -0.67 0.00 0.00 178.83 179.71 3ndp h TYR 57 N 0.44 0.15 -0.95 2.96 -1.99 -1.59 -3.37 116.97 112.63 3ndp h TYR 57 Ca 0.55 -0.11 0.22 0.00 2.00 0.00 0.00 58.73 61.40 3ndp h TYR 57 Cb 1.02 -0.01 -0.12 0.00 2.00 0.00 0.00 36.73 39.62 3ndp h TYR 57 CO -0.12 1.14 0.50 0.82 -0.00 0.00 0.00 178.16 180.51 3ndp h ILE 58 N -0.82 0.55 -0.65 -2.88 2.04 -1.04 0.20 117.51 114.91 3ndp h ILE 58 Ca -0.08 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.63 3ndp h ILE 58 Cb 1.21 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3ndp h ILE 58 CO 0.02 0.10 0.40 1.05 0.00 0.00 0.00 178.15 179.72 3ndp h GLU 59 N 0.53 0.77 -0.68 2.37 -0.00 -1.51 -0.54 114.58 115.51 3ndp h GLU 59 Ca 0.59 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.90 3ndp h GLU 59 Cb 1.07 -0.17 0.00 0.00 -0.00 0.00 0.00 28.75 29.65 3ndp h GLU 59 CO -0.48 0.51 0.00 1.63 -0.00 0.00 0.00 179.01 180.67 3ndp n LYS 60 N -4.70 3.00 -3.98 1.06 4.76 -0.75 -4.89 118.16 112.66 3ndp n LYS 60 Ca 0.06 -1.78 -0.32 0.00 -2.87 0.00 0.00 58.31 53.40 3ndp n LYS 60 Cb 0.08 -1.81 0.02 0.00 -1.84 0.00 0.00 35.03 31.47 3ndp n LYS 60 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3ndp n SER 61 N 0.46 -4.53 -4.98 4.39 7.64 -0.21 -4.97 113.62 111.43 3ndp n SER 61 Ca 0.16 -0.83 -0.21 0.00 1.01 0.00 0.00 58.87 59.01 3ndp n SER 61 Cb 0.71 -3.66 0.02 0.00 -1.01 0.00 0.00 64.21 60.27 3ndp n SER 61 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ndp s LEU 62 N -7.29 3.51 0.04 -3.43 1.43 0.63 -4.97 118.68 108.62 3ndp s LEU 62 Ca 0.68 -0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 53.52 3ndp s LEU 62 Cb -0.35 -2.90 -0.06 0.00 0.03 0.00 0.00 46.19 42.92 3ndp s LEU 62 CO 0.85 -0.89 0.72 -0.76 0.23 0.00 0.00 176.35 176.50 3ndp s LEU 63 N -4.57 4.45 -0.04 1.79 1.43 -1.26 -4.15 118.68 116.33 3ndp s LEU 63 Ca 0.53 1.38 -0.30 0.00 -1.03 0.00 0.00 54.13 54.72 3ndp s LEU 63 Cb -0.10 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 3ndp s LEU 63 CO 0.37 0.06 1.14 -0.69 0.23 0.00 0.00 176.35 177.45 3ndp s VAL 64 N -0.18 4.39 0.29 -1.59 1.01 -1.26 -4.94 120.40 118.12 3ndp s VAL 64 Ca 0.36 1.71 -0.28 0.00 0.00 0.00 0.00 61.98 63.77 3ndp s VAL 64 Cb -0.20 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 31.94 3ndp s VAL 64 CO 0.22 0.04 0.90 -2.65 0.00 0.00 0.00 175.10 173.60 3ndp n PRO 65 N 4.80 1.08 -0.23 2.72 -0.02 -1.26 -4.79 135.00 137.31 3ndp n PRO 65 Ca 0.10 0.38 -0.06 0.00 -2.02 0.00 0.00 63.50 61.89 3ndp n PRO 65 Cb 0.47 -1.69 0.04 0.00 -0.02 0.00 0.00 33.50 32.30 3ndp n PRO 65 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ndp h ASP 66 N 1.73 0.80 -0.05 2.55 3.32 -2.00 -1.69 116.42 121.08 3ndp h ASP 66 Ca -0.38 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.59 3ndp h ASP 66 Cb 1.36 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 3ndp h ASP 66 CO 0.59 0.67 0.04 1.12 -1.72 0.00 0.00 179.24 179.95 3ndp h HIS 67 N 0.87 0.00 -0.05 4.55 2.07 -2.00 0.39 115.15 120.99 3ndp h HIS 67 Ca 0.23 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.54 3ndp h HIS 67 Cb 0.05 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.03 3ndp h HIS 67 CO -0.01 0.00 -0.83 0.28 -3.07 0.00 0.00 177.93 174.30 3ndp h VAL 68 N 0.00 1.38 -0.25 6.12 2.07 -1.68 -2.23 116.25 121.67 3ndp h VAL 68 Ca 0.03 -2.27 -0.04 0.00 0.82 0.00 0.00 66.70 65.23 3ndp h VAL 68 Cb 0.11 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3ndp h VAL 68 CO -0.00 0.68 -0.02 0.40 0.02 0.00 0.00 177.57 178.65 3ndp h ILE 69 N 0.27 1.27 -0.16 4.57 1.08 -0.34 -1.41 117.51 122.79 3ndp h ILE 69 Ca -0.05 -0.96 0.03 0.00 -0.39 0.00 0.00 64.86 63.49 3ndp h ILE 69 Cb 1.44 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 36.56 3ndp h ILE 69 CO 0.14 0.30 -0.01 0.74 -0.69 0.00 0.00 178.15 178.63 3ndp h THR 70 N 0.21 0.87 -0.43 -0.27 2.02 -1.20 0.14 112.91 114.25 3ndp h THR 70 Ca 0.07 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.29 3ndp h THR 70 Cb 0.45 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 3ndp h THR 70 CO 0.02 0.01 0.15 0.03 0.37 0.00 0.00 175.52 176.10 3ndp h ARG 71 N 0.04 0.31 -0.00 6.66 -0.00 -1.36 0.93 114.38 120.96 3ndp h ARG 71 Ca 0.08 -0.02 0.03 0.00 -0.50 0.00 0.00 59.98 59.56 3ndp h ARG 71 Cb 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 29.97 29.97 3ndp h ARG 71 CO -0.14 0.21 -0.16 1.25 0.00 0.00 0.00 179.97 181.12 3ndp h LEU 72 N 0.32 -0.48 -0.36 3.04 5.85 -0.60 -1.31 115.31 121.77 3ndp h LEU 72 Ca 0.20 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 3ndp h LEU 72 Cb 0.19 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3ndp h LEU 72 CO -0.20 -0.22 0.14 0.24 -0.34 0.00 0.00 178.44 178.06 3ndp h MET 73 N -0.27 0.54 -0.70 1.25 2.86 -0.29 -1.32 114.93 117.01 3ndp h MET 73 Ca 0.05 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3ndp h MET 73 Cb 0.34 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 3ndp h MET 73 CO -0.16 0.53 0.28 0.52 1.06 0.00 0.00 176.91 179.15 3ndp h MET 74 N 0.44 1.03 -0.05 1.72 2.86 -0.72 0.24 114.93 120.45 3ndp h MET 74 Ca 0.12 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3ndp h MET 74 Cb 0.20 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 3ndp h MET 74 CO -0.01 0.83 -0.00 0.77 1.06 0.00 0.00 176.91 179.56 3ndp h SER 75 N 1.01 0.09 -0.24 1.22 0.02 -1.08 -2.19 113.55 112.38 3ndp h SER 75 Ca 0.24 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3ndp h SER 75 Cb 0.18 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3ndp h SER 75 CO -0.02 0.38 0.07 -0.33 -1.14 0.00 0.00 176.83 175.79 3ndp h GLU 76 N -0.21 0.37 -0.60 3.45 4.39 -0.99 -2.97 114.58 118.03 3ndp h GLU 76 Ca 0.01 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 3ndp h GLU 76 Cb 0.33 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 3ndp h GLU 76 CO 0.00 0.46 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.22 3ndp h LEU 77 N 0.21 1.06 -1.91 1.33 3.38 -0.59 -2.53 115.31 116.27 3ndp h LEU 77 Ca 0.08 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.78 3ndp h LEU 77 Cb 0.25 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3ndp h LEU 77 CO -0.00 1.12 0.17 -0.33 0.09 0.00 0.00 178.44 179.49 3ndp h GLU 78 N 0.98 0.11 -0.41 1.13 5.08 -1.38 0.46 114.58 120.54 3ndp h GLU 78 Ca 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3ndp h GLU 78 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3ndp h GLU 78 CO 0.04 0.07 0.00 0.09 -1.00 0.00 0.00 179.01 178.21 3ndp n ASN 79 N -4.48 1.71 -0.86 1.42 5.03 -0.96 -3.72 115.26 113.39 3ndp n ASN 79 Ca 0.02 -2.08 0.03 0.00 0.87 0.00 0.00 54.58 53.42 3ndp n ASN 79 Cb 0.25 -0.27 0.04 0.00 -1.02 0.00 0.00 39.78 38.78 3ndp n ASN 79 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3ndp n ARG 80 N 0.26 0.24 0.27 3.52 1.74 0.16 -4.86 116.66 117.98 3ndp n ARG 80 Ca 0.09 -1.72 0.11 0.00 -0.77 0.00 0.00 57.85 55.56 3ndp n ARG 80 Cb 0.31 -0.48 0.73 0.00 -1.02 0.00 0.00 32.46 32.00 3ndp n ARG 80 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ndp h ARG 81 N 0.47 0.00 -0.66 5.56 3.08 -1.58 -2.65 114.38 118.61 3ndp h ARG 81 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3ndp h ARG 81 Cb 1.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.58 3ndp h ARG 81 CO 0.04 0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.42 3ndp n GLY 82 N -1.14 0.78 3.11 0.04 0.00 -1.26 -4.85 105.19 101.87 3ndp n GLY 82 Ca -0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 3ndp n GLY 82 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ndp s GLN 83 N -1.40 0.62 0.50 1.61 -2.07 -1.00 -5.11 119.66 112.82 3ndp s GLN 83 Ca 0.03 -0.99 -0.22 0.00 -1.82 0.00 0.00 55.36 52.36 3ndp s GLN 83 Cb 0.02 0.23 -0.06 0.00 -1.09 0.00 0.00 33.01 32.12 3ndp s GLN 83 CO 0.01 -0.15 1.28 -1.01 -1.32 0.00 0.00 175.29 174.11 3ndp s HIS 84 N -3.33 2.55 -0.11 9.60 3.76 -1.26 -4.84 115.29 121.67 3ndp s HIS 84 Ca 0.01 1.44 0.02 0.00 -0.15 0.00 0.00 55.06 56.38 3ndp s HIS 84 Cb 0.03 -3.63 -0.01 0.00 1.11 0.00 0.00 32.58 30.09 3ndp s HIS 84 CO -0.08 -2.30 -0.18 -1.58 -0.85 0.00 0.00 174.74 169.75 3ndp s TRP 85 N -1.40 2.69 -0.38 1.40 0.51 0.13 -4.68 118.94 117.21 3ndp s TRP 85 Ca 0.67 -0.74 0.04 0.00 -2.12 0.00 0.00 56.10 53.96 3ndp s TRP 85 Cb -0.36 -1.76 0.11 0.00 -0.81 0.00 0.00 33.47 30.65 3ndp s TRP 85 CO 0.43 -0.24 0.09 -1.17 -0.51 0.00 0.00 176.95 175.55 3ndp s LEU 86 N 0.21 4.69 -0.23 2.99 2.96 -1.25 -0.98 118.68 127.07 3ndp s LEU 86 Ca -0.11 -2.32 -0.16 0.00 -0.22 0.00 0.00 54.13 51.32 3ndp s LEU 86 Cb -0.16 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3ndp s LEU 86 CO 0.06 -0.35 0.42 -0.76 -1.32 0.00 0.00 176.35 174.39 3ndp s LEU 87 N 0.68 4.10 -0.22 -0.68 1.43 0.12 -1.34 118.68 122.77 3ndp s LEU 87 Ca 0.12 0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 53.61 3ndp s LEU 87 Cb -0.20 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 3ndp s LEU 87 CO -0.06 -0.15 0.02 -0.62 0.23 0.00 0.00 176.35 175.76 3ndp s ASP 88 N 1.33 4.86 -0.92 2.29 2.15 0.19 -0.32 116.67 126.25 3ndp s ASP 88 Ca 0.18 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 52.94 3ndp s ASP 88 Cb -0.15 -1.85 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 3ndp s ASP 88 CO 0.09 0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.72 3ndp n GLY 89 N 4.54 1.02 3.25 2.66 0.00 0.34 -4.43 105.19 112.58 3ndp n GLY 89 Ca -0.17 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 3ndp n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ndp s PHE 90 N -2.33 -0.42 0.61 1.61 2.19 -1.26 -4.51 117.98 113.87 3ndp s PHE 90 Ca 0.00 1.00 -0.13 0.00 0.33 0.00 0.00 56.93 58.14 3ndp s PHE 90 Cb 0.00 0.15 -0.04 0.00 -1.31 0.00 0.00 43.02 41.82 3ndp s PHE 90 CO 0.00 -0.21 1.03 -1.25 1.83 0.00 0.00 175.22 176.62 3ndp s PRO 91 N 0.35 3.51 -0.00 10.12 0.04 -1.26 -4.76 135.00 143.00 3ndp s PRO 91 Ca -0.01 0.89 0.08 0.00 0.04 0.00 0.00 61.00 62.00 3ndp s PRO 91 Cb -0.03 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 3ndp s PRO 91 CO -0.01 -0.64 0.31 0.54 0.04 0.00 0.00 177.00 177.24 3ndp n ARG 92 N -2.48 3.23 -4.18 4.56 1.74 -1.26 -4.93 116.66 113.33 3ndp n ARG 92 Ca 0.07 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 57.00 3ndp n ARG 92 Cb 0.54 -0.97 -0.10 0.00 -1.02 0.00 0.00 32.46 30.91 3ndp n ARG 92 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3ndp s THR 93 N -1.99 0.84 0.25 0.55 -4.23 -1.26 -3.75 115.64 106.05 3ndp s THR 93 Ca 0.01 -1.84 -0.05 0.00 -1.18 0.00 0.00 61.69 58.63 3ndp s THR 93 Cb 0.06 -1.57 0.25 0.00 1.34 0.00 0.00 72.50 72.58 3ndp s THR 93 CO 0.34 -0.75 1.91 0.25 -0.54 0.00 0.00 174.62 175.84 3ndp h LEU 94 N 3.16 1.10 -0.78 4.79 5.85 -1.95 0.23 115.31 127.70 3ndp h LEU 94 Ca -0.36 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.42 3ndp h LEU 94 Cb 1.18 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3ndp h LEU 94 CO 0.60 0.77 0.46 1.23 -0.34 0.00 0.00 178.44 181.16 3ndp h GLY 95 N 1.28 1.19 1.27 3.75 0.00 -1.99 0.21 103.07 108.78 3ndp h GLY 95 Ca 0.38 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 3ndp h GLY 95 CO -0.10 0.18 -0.39 1.46 0.00 0.00 0.00 176.54 177.68 3ndp h GLN 96 N 0.81 0.80 -0.46 4.80 4.20 -1.59 -2.07 115.11 121.60 3ndp h GLN 96 Ca 0.36 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3ndp h GLN 96 Cb 0.25 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3ndp h GLN 96 CO -0.20 1.05 0.16 0.00 -0.67 0.00 0.00 178.83 179.17 3ndp h ALA 97 N 0.90 0.60 -0.81 3.87 0.00 0.03 -0.93 119.26 122.91 3ndp h ALA 97 Ca 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ndp h ALA 97 Cb 0.95 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3ndp h ALA 97 CO 0.09 0.23 0.43 0.93 0.00 0.00 0.00 179.25 180.92 3ndp h GLU 98 N 0.60 1.14 -0.60 0.00 5.08 -0.54 -0.47 114.58 119.78 3ndp h GLU 98 Ca 0.15 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3ndp h GLU 98 Cb 0.23 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3ndp h GLU 98 CO -0.01 0.85 0.29 0.00 -1.00 0.00 0.00 179.01 179.14 3ndp h ALA 99 N 1.22 0.77 -0.72 3.43 0.00 -1.04 -2.58 119.26 120.34 3ndp h ALA 99 Ca 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ndp h ALA 99 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3ndp h ALA 99 CO -0.04 0.34 0.39 1.25 0.00 0.00 0.00 179.25 181.19 3ndp h LEU 100 N 0.82 0.91 -2.52 0.00 5.85 -0.58 -1.94 115.31 117.85 3ndp h LEU 100 Ca 0.21 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3ndp h LEU 100 Cb 0.12 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3ndp h LEU 100 CO -0.03 0.75 -0.00 0.44 -0.34 0.00 0.00 178.44 179.26 3ndp h ASP 101 N 1.00 0.00 0.95 1.25 3.32 -0.72 -1.17 116.42 121.04 3ndp h ASP 101 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3ndp h ASP 101 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3ndp h ASP 101 CO -0.04 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.77 3ndp n LYS 102 N -3.75 0.03 0.00 3.56 5.02 -0.73 -3.58 118.16 118.70 3ndp n LYS 102 Ca -0.03 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3ndp n LYS 102 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 3ndp n LYS 102 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3ndp n ILE 103 N -1.49 0.00 -3.73 -0.18 -5.35 -0.50 -5.09 119.36 103.02 3ndp n ILE 103 Ca 0.07 -0.47 -0.01 0.00 -0.27 0.00 0.00 62.75 62.07 3ndp n ILE 103 Cb 0.32 1.07 -0.01 0.00 -1.74 0.00 0.00 39.64 39.29 3ndp n ILE 103 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ndp s GLU 105 N -2.81 2.62 0.06 0.00 2.12 -1.26 -4.38 118.70 115.05 3ndp s GLU 105 Ca 0.15 -1.16 -0.31 0.00 0.36 0.00 0.00 54.97 54.01 3ndp s GLU 105 Cb 0.01 -3.34 -0.07 0.00 0.26 0.00 0.00 34.13 30.99 3ndp s GLU 105 CO 0.01 -0.61 1.44 0.08 -0.54 0.00 0.00 175.26 175.64 3ndp s VAL 106 N 1.36 3.43 -0.10 3.70 1.01 -1.26 -4.54 120.40 124.00 3ndp s VAL 106 Ca -0.02 0.92 -0.02 0.00 0.00 0.00 0.00 61.98 62.86 3ndp s VAL 106 Cb -0.19 -3.59 -0.25 0.00 0.00 0.00 0.00 36.38 32.34 3ndp s VAL 106 CO 0.01 0.02 0.43 0.47 0.00 0.00 0.00 175.10 176.04 3ndp n ASP 107 N 4.89 1.82 -3.61 3.32 10.43 0.91 -5.00 116.55 129.31 3ndp n ASP 107 Ca 0.13 0.26 -0.16 0.00 2.57 0.00 0.00 54.79 57.59 3ndp n ASP 107 Cb 0.42 -0.66 -0.07 0.00 1.84 0.00 0.00 41.12 42.65 3ndp n ASP 107 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 3ndp s LEU 108 N -6.80 -0.24 -0.13 0.64 0.05 -1.12 -4.86 118.68 106.21 3ndp s LEU 108 Ca -0.18 0.74 -0.01 0.00 0.05 0.00 0.00 54.13 54.72 3ndp s LEU 108 Cb 0.07 2.14 0.04 0.00 -2.05 0.00 0.00 46.19 46.38 3ndp s LEU 108 CO 0.78 -0.46 -0.03 -0.69 -0.55 0.00 0.00 176.35 175.40 3ndp s VAL 109 N -0.77 0.82 -0.21 1.48 1.01 -0.43 -0.70 120.40 121.60 3ndp s VAL 109 Ca -0.08 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 3ndp s VAL 109 Cb -0.02 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 3ndp s VAL 109 CO 0.06 0.16 0.18 -0.63 0.00 0.00 0.00 175.10 174.88 3ndp s ILE 110 N 1.77 5.37 -0.22 2.22 -1.09 0.10 -0.48 121.20 128.87 3ndp s ILE 110 Ca 0.03 0.28 -0.02 0.00 -2.23 0.00 0.00 60.65 58.70 3ndp s ILE 110 Cb -0.14 -3.52 0.01 0.00 -1.58 0.00 0.00 42.46 37.23 3ndp s ILE 110 CO -0.07 0.39 -0.09 -0.55 -1.23 0.00 0.00 174.94 173.39 3ndp s SER 111 N 0.63 4.01 -0.14 3.58 0.15 -0.49 -0.13 113.70 121.31 3ndp s SER 111 Ca 0.10 -0.64 -0.10 0.00 0.70 0.00 0.00 55.95 56.00 3ndp s SER 111 Cb -0.12 -1.64 -0.05 0.00 -1.71 0.00 0.00 66.02 62.50 3ndp s SER 111 CO 0.01 -0.06 0.20 -0.76 1.20 0.00 0.00 173.24 173.84 3ndp s LEU 112 N 1.37 4.32 -0.11 3.45 1.43 0.65 -0.62 118.68 129.17 3ndp s LEU 112 Ca 0.03 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 3ndp s LEU 112 Cb -0.15 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.89 3ndp s LEU 112 CO -0.06 0.27 -0.19 0.20 0.23 0.00 0.00 176.35 176.80 3ndp s ASN 113 N -0.34 2.69 0.00 2.29 0.01 -0.20 -4.26 114.94 115.13 3ndp s ASN 113 Ca 0.14 -0.49 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 3ndp s ASN 113 Cb -0.12 -1.23 0.00 0.00 0.41 0.00 0.00 41.25 40.31 3ndp s ASN 113 CO 0.03 0.08 0.00 -0.38 -1.51 0.00 0.00 177.10 175.32 3ndp n ILE 114 N 3.88 0.00 -3.59 0.60 5.41 -1.26 0.20 119.36 124.60 3ndp n ILE 114 Ca -0.20 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.18 3ndp n ILE 114 Cb 0.52 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.40 3ndp n ILE 114 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3ndp s ARG 122 N 0.00 3.41 0.49 0.38 3.00 -1.26 -4.85 118.95 120.12 3ndp s ARG 122 Ca 0.00 -3.25 -0.20 0.00 -1.00 0.00 0.00 55.73 51.28 3ndp s ARG 122 Cb 0.00 -4.05 -0.08 0.00 0.00 0.00 0.00 34.95 30.82 3ndp s ARG 122 CO 0.00 -1.26 1.06 -0.51 0.00 0.00 0.00 175.30 174.59 3ndp s LEU 123 N -1.30 3.84 0.00 -0.88 1.43 -1.26 0.41 118.68 120.92 3ndp s LEU 123 Ca 0.28 1.99 0.04 0.00 -1.03 0.00 0.00 54.13 55.40 3ndp s LEU 123 Cb -0.08 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.63 3ndp s LEU 123 CO -0.12 -0.86 0.30 -1.54 0.23 0.00 0.00 176.35 174.36 3ndp n SER 124 N -0.99 2.28 -1.83 2.29 3.41 0.24 -4.55 113.62 114.46 3ndp n SER 124 Ca 0.10 -2.37 0.03 0.00 -0.26 0.00 0.00 58.87 56.37 3ndp n SER 124 Cb 0.52 -0.03 0.36 0.00 -0.26 0.00 0.00 64.21 64.80 3ndp n SER 124 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3ndp n ARG 125 N -1.43 4.38 -3.71 4.33 1.85 -1.26 -4.66 116.66 116.16 3ndp n ARG 125 Ca -0.02 -2.91 -0.37 0.00 -1.00 0.00 0.00 57.85 53.55 3ndp n ARG 125 Cb 0.45 -2.21 -0.12 0.00 -1.05 0.00 0.00 32.46 29.54 3ndp n ARG 125 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3ndp s ARG 126 N -2.68 3.59 -0.20 2.89 0.52 -1.26 -1.01 118.95 120.80 3ndp s ARG 126 Ca 0.51 -0.53 -0.02 0.00 -0.52 0.00 0.00 55.73 55.17 3ndp s ARG 126 Cb 0.39 -3.43 -0.00 0.00 0.52 0.00 0.00 34.95 32.43 3ndp s ARG 126 CO 0.14 -0.26 -0.10 -1.58 0.02 0.00 0.00 175.30 173.53 3ndp s TRP 127 N 1.63 2.89 0.06 -0.53 0.52 -0.23 -0.11 118.94 123.17 3ndp s TRP 127 Ca 0.06 -1.10 0.05 0.00 0.02 0.00 0.00 56.10 55.13 3ndp s TRP 127 Cb -0.16 -2.02 -0.04 0.00 -1.15 0.00 0.00 33.47 30.11 3ndp s TRP 127 CO 0.05 -0.58 -0.06 -1.50 0.02 0.00 0.00 176.95 174.88 3ndp s ILE 128 N 1.28 3.62 -0.72 2.03 2.07 -0.05 0.12 121.20 129.56 3ndp s ILE 128 Ca 0.03 -1.01 -0.15 0.00 -1.41 0.00 0.00 60.65 58.12 3ndp s ILE 128 Cb -0.14 -2.65 0.18 0.00 0.13 0.00 0.00 42.46 39.97 3ndp s ILE 128 CO -0.05 0.23 0.69 -2.28 -1.91 0.00 0.00 174.94 171.62 3ndp s HIS 129 N -1.15 3.51 0.27 3.50 5.65 0.11 0.08 115.29 127.27 3ndp s HIS 129 Ca 0.21 -1.66 -0.07 0.00 0.25 0.00 0.00 55.06 53.78 3ndp s HIS 129 Cb -0.11 -3.85 0.47 0.00 -1.18 0.00 0.00 32.58 27.91 3ndp s HIS 129 CO 0.12 -1.04 1.58 -1.35 -0.65 0.00 0.00 174.74 173.40 3ndp h PRO 130 N 8.29 0.01 -0.80 2.88 0.11 -1.86 0.28 132.00 140.92 3ndp h PRO 130 Ca -0.06 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.18 3ndp h PRO 130 Cb 1.06 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.11 3ndp h PRO 130 CO 0.89 0.01 0.52 -1.35 -0.21 0.00 0.00 178.00 177.86 3ndp h PRO 131 N 0.01 0.59 0.00 1.05 0.11 -1.95 -3.18 132.00 128.64 3ndp h PRO 131 Ca 0.47 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.47 3ndp h PRO 131 Cb 0.77 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 3ndp h PRO 131 CO -0.92 0.39 -1.67 -1.13 -0.21 0.00 0.00 178.00 174.46 3ndp n SER 132 N -4.51 2.02 0.00 -2.05 3.41 -0.77 -5.00 113.62 106.72 3ndp n SER 132 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3ndp n SER 132 Cb 0.42 1.35 0.00 0.00 -0.26 0.00 0.00 64.21 65.73 3ndp n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ndp n GLY 133 N 1.91 0.75 3.72 5.00 0.00 0.90 -5.02 105.19 112.46 3ndp n GLY 133 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3ndp n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ndp s ARG 134 N -0.47 4.23 -0.15 1.61 0.52 -1.22 -4.79 118.95 118.68 3ndp s ARG 134 Ca 0.00 2.33 -0.01 0.00 -0.52 0.00 0.00 55.73 57.54 3ndp s ARG 134 Cb 0.00 -3.16 -0.01 0.00 0.52 0.00 0.00 34.95 32.30 3ndp s ARG 134 CO 0.00 -0.58 -0.12 0.08 0.02 0.00 0.00 175.30 174.70 3ndp s VAL 135 N 1.03 3.01 -0.37 3.52 1.01 -1.26 -0.71 120.40 126.64 3ndp s VAL 135 Ca 0.69 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 3ndp s VAL 135 Cb -0.43 -2.28 0.07 0.00 0.00 0.00 0.00 36.38 33.74 3ndp s VAL 135 CO 0.32 0.51 0.14 -0.31 0.00 0.00 0.00 175.10 175.76 3ndp s TYR 136 N 0.63 3.40 -0.31 5.22 1.51 0.12 -4.95 117.35 122.96 3ndp s TYR 136 Ca -0.07 -1.94 -0.20 0.00 -1.01 0.00 0.00 57.07 53.85 3ndp s TYR 136 Cb -0.15 -2.69 -0.01 0.00 -0.11 0.00 0.00 41.96 39.00 3ndp s TYR 136 CO 0.03 -0.86 0.62 1.21 -1.11 0.00 0.00 175.55 175.44 3ndp s ASN 137 N 1.63 6.48 0.41 2.29 3.84 -1.25 -1.06 114.94 127.27 3ndp s ASN 137 Ca 0.02 0.37 0.26 0.00 0.21 0.00 0.00 52.86 53.72 3ndp s ASN 137 Cb -0.21 -2.33 1.40 0.00 -0.55 0.00 0.00 41.25 39.56 3ndp s ASN 137 CO -0.01 -0.49 1.77 -0.07 -2.79 0.00 0.00 177.10 175.51 3ndp h LEU 138 N 9.18 0.00 0.00 3.21 3.38 -1.36 0.13 115.31 129.85 3ndp h LEU 138 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3ndp h LEU 138 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3ndp h LEU 138 CO 0.80 0.00 -0.27 0.47 0.09 0.00 0.00 178.44 179.53 3ndp n ASP 139 N -2.43 0.60 0.00 -0.43 8.00 -1.26 -4.00 116.55 117.03 3ndp n ASP 139 Ca -0.02 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.79 3ndp n ASP 139 Cb 0.09 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3ndp n ASP 139 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3ndp n PHE 140 N -1.99 0.00 -2.95 1.24 1.16 -0.53 -3.56 117.46 110.82 3ndp n PHE 140 Ca 0.05 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.49 3ndp n PHE 140 Cb 0.41 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.30 3ndp n PHE 140 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 3ndp n ASN 141 N 0.00 -0.98 -4.74 5.98 6.94 0.36 -2.35 115.26 120.46 3ndp n ASN 141 Ca 0.00 -3.29 -0.34 0.00 -0.02 0.00 0.00 54.58 50.94 3ndp n ASN 141 Cb 0.00 0.70 0.07 0.00 -2.36 0.00 0.00 39.78 38.20 3ndp n ASN 141 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3ndp s PRO 142 N -0.82 2.40 0.74 -0.53 0.04 -1.21 -3.87 135.00 131.76 3ndp s PRO 142 Ca 0.31 1.60 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 3ndp s PRO 142 Cb 0.29 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.99 3ndp s PRO 142 CO -0.09 -1.60 1.08 -1.25 0.04 0.00 0.00 177.00 175.17 3ndp s PRO 143 N -4.00 2.53 0.14 0.56 0.04 -1.26 -4.96 135.00 128.05 3ndp s PRO 143 Ca 0.71 0.89 -0.17 0.00 0.04 0.00 0.00 61.00 62.48 3ndp s PRO 143 Cb -0.25 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 3ndp s PRO 143 CO 0.44 -1.38 1.76 0.45 0.04 0.00 0.00 177.00 178.31 3ndp h HIS 144 N -0.92 0.51 -3.30 0.56 3.86 -1.95 -3.40 115.15 110.50 3ndp h HIS 144 Ca -0.45 -0.01 -0.66 0.00 -1.16 0.00 0.00 60.37 58.09 3ndp h HIS 144 Cb 1.23 -0.16 -0.29 0.00 1.06 0.00 0.00 27.41 29.25 3ndp h HIS 144 CO 0.56 0.38 -0.77 0.08 0.86 0.00 0.00 177.93 179.04 3ndp s VAL 145 N -5.92 2.95 0.11 2.45 1.01 -1.26 -5.08 120.40 114.65 3ndp s VAL 145 Ca -0.13 -0.66 -0.36 0.00 0.00 0.00 0.00 61.98 60.83 3ndp s VAL 145 Cb 0.10 -2.28 -0.17 0.00 0.00 0.00 0.00 36.38 34.04 3ndp s VAL 145 CO 0.73 0.49 1.21 1.57 0.00 0.00 0.00 175.10 179.11 3ndp n HIS 146 N 4.17 1.25 -1.04 5.22 -0.00 -1.26 -1.33 115.22 122.22 3ndp n HIS 146 Ca -0.19 0.72 -0.01 0.00 0.46 0.00 0.00 57.72 58.70 3ndp n HIS 146 Cb 0.52 -2.27 -0.01 0.00 -0.12 0.00 0.00 29.99 28.11 3ndp n HIS 146 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3ndp n GLY 147 N 2.19 0.31 3.14 1.57 0.00 -1.26 -4.99 105.19 106.15 3ndp n GLY 147 Ca 0.17 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3ndp n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ndp s ILE 148 N -1.49 1.31 -0.07 -0.61 -1.09 -0.44 -0.88 121.20 117.92 3ndp s ILE 148 Ca 0.00 -0.69 -0.30 0.00 -2.23 0.00 0.00 60.65 57.43 3ndp s ILE 148 Cb 0.00 -1.10 -0.03 0.00 -1.58 0.00 0.00 42.46 39.74 3ndp s ILE 148 CO 0.00 0.37 1.29 -0.62 -1.23 0.00 0.00 174.94 174.75 3ndp s ASP 149 N -0.24 6.96 0.16 3.58 2.15 -0.07 -4.52 116.67 124.68 3ndp s ASP 149 Ca 0.03 1.87 -0.18 0.00 0.43 0.00 0.00 52.55 54.70 3ndp s ASP 149 Cb -0.08 -2.55 0.07 0.00 -0.30 0.00 0.00 42.92 40.06 3ndp s ASP 149 CO 0.00 -0.68 1.67 0.44 -0.17 0.00 0.00 175.17 176.43 3ndp h ASP 150 N 7.85 -0.39 0.27 -0.34 3.32 -1.92 0.62 116.42 125.84 3ndp h ASP 150 Ca -0.33 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3ndp h ASP 150 Cb 1.15 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.95 3ndp h ASP 150 CO 0.91 -0.14 -0.13 0.58 -1.72 0.00 0.00 179.24 178.74 3ndp h VAL 151 N -0.04 0.77 0.00 -1.35 2.07 -1.97 -3.36 116.25 112.37 3ndp h VAL 151 Ca 0.17 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3ndp h VAL 151 Cb 0.29 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3ndp h VAL 151 CO -0.38 0.10 -1.32 0.35 0.02 0.00 0.00 177.57 176.34 3ndp n THR 152 N -5.14 0.00 -0.96 2.57 -2.24 -1.23 -4.96 114.28 102.32 3ndp n THR 152 Ca -0.10 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3ndp n THR 152 Cb 0.24 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 3ndp n THR 152 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ndp n GLY 153 N 1.42 0.54 3.84 3.38 0.00 0.21 -5.00 105.19 109.58 3ndp n GLY 153 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3ndp n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ndp s GLU 154 N -0.37 4.05 0.59 1.61 2.02 -1.26 -4.66 118.70 120.69 3ndp s GLU 154 Ca 0.00 0.80 -0.20 0.00 0.02 0.00 0.00 54.97 55.59 3ndp s GLU 154 Cb 0.00 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 3ndp s GLU 154 CO 0.00 0.07 1.31 -0.35 0.02 0.00 0.00 175.26 176.31 3ndp n PRO 155 N -0.56 1.40 -3.03 0.39 -0.04 -1.26 -0.89 135.00 131.01 3ndp n PRO 155 Ca 0.05 0.53 -0.18 0.00 -0.04 0.00 0.00 63.50 63.85 3ndp n PRO 155 Cb 0.53 -2.54 0.01 0.00 -0.04 0.00 0.00 33.50 31.47 3ndp n PRO 155 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ndp s LEU 156 N -3.76 3.66 -0.13 1.53 1.43 -0.06 -4.74 118.68 116.62 3ndp s LEU 156 Ca 0.77 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 3ndp s LEU 156 Cb -0.40 -2.72 0.02 0.00 0.03 0.00 0.00 46.19 43.12 3ndp s LEU 156 CO 0.45 -0.76 -0.13 -0.69 0.23 0.00 0.00 176.35 175.46 3ndp s VAL 157 N -2.38 1.41 0.03 -1.59 1.01 0.11 -4.91 120.40 114.08 3ndp s VAL 157 Ca 0.54 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3ndp s VAL 157 Cb -0.10 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.89 3ndp s VAL 157 CO 0.34 0.43 1.35 -1.58 0.00 0.00 0.00 175.10 175.64 3ndp s GLN 158 N 1.37 4.32 0.02 2.72 0.74 -1.26 -0.87 119.66 126.70 3ndp s GLN 158 Ca 0.01 1.93 -0.25 0.00 0.05 0.00 0.00 55.36 57.10 3ndp s GLN 158 Cb -0.13 -3.47 -0.05 0.00 1.10 0.00 0.00 33.01 30.46 3ndp s GLN 158 CO -0.07 -0.49 0.79 -0.65 -0.55 0.00 0.00 175.29 174.32 3ndp s GLN 159 N 1.90 4.50 0.82 1.67 -0.21 0.84 -4.90 119.66 124.28 3ndp s GLN 159 Ca 0.63 1.09 -0.13 0.00 0.02 0.00 0.00 55.36 56.96 3ndp s GLN 159 Cb -0.32 -3.39 0.07 0.00 1.00 0.00 0.00 33.01 30.37 3ndp s GLN 159 CO 0.27 0.21 1.06 -1.91 -2.12 0.00 0.00 175.29 172.80 3ndp n GLU 160 N 3.09 0.12 0.18 2.91 4.07 -1.26 -0.59 120.64 129.15 3ndp n GLU 160 Ca -0.01 0.11 0.05 0.00 -0.06 0.00 0.00 57.16 57.25 3ndp n GLU 160 Cb 0.50 -2.32 0.27 0.00 -0.06 0.00 0.00 31.44 29.83 3ndp n GLU 160 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 3ndp h ASP 161 N -0.96 0.00 0.00 4.31 3.58 0.77 -3.41 116.42 120.72 3ndp h ASP 161 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 3ndp h ASP 161 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 3ndp h ASP 161 CO 0.44 0.41 0.13 0.47 -2.88 0.00 0.00 179.24 177.81 3ndp n ASP 162 N -3.46 0.00 -3.96 2.28 9.92 -1.26 -5.01 116.55 115.06 3ndp n ASP 162 Ca 0.00 -0.69 -0.20 0.00 -0.53 0.00 0.00 54.79 53.37 3ndp n ASP 162 Cb 0.56 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.88 3ndp n ASP 162 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ndp s ALA 178 N 1.37 0.80 0.20 2.24 0.00 -1.25 -5.25 121.76 119.88 3ndp s ALA 178 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 3ndp s ALA 178 Cb 0.00 -0.37 0.26 0.00 0.00 0.00 0.00 23.12 23.01 3ndp s ALA 178 CO 0.00 0.08 1.68 0.87 0.00 0.00 0.00 175.76 178.39 3ndp h LYS 179 N 6.74 0.16 -0.07 0.00 1.57 -2.00 -1.30 116.57 121.66 3ndp h LYS 179 Ca -0.35 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.44 3ndp h LYS 179 Cb 1.17 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 3ndp h LYS 179 CO 0.48 0.10 0.07 -1.00 -0.57 0.00 0.00 179.45 178.53 3ndp h PRO 180 N 0.16 0.00 -0.12 3.15 0.13 -1.98 0.40 132.00 133.74 3ndp h PRO 180 Ca 0.30 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.22 3ndp h PRO 180 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 3ndp h PRO 180 CO -0.45 0.00 -0.74 0.28 -0.23 0.00 0.00 178.00 176.86 3ndp h VAL 181 N 0.00 1.33 -0.05 1.56 2.07 -1.61 -0.72 116.25 118.82 3ndp h VAL 181 Ca 0.03 -2.04 -0.01 0.00 0.82 0.00 0.00 66.70 65.50 3ndp h VAL 181 Cb 0.16 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3ndp h VAL 181 CO -0.00 0.63 -0.01 0.40 0.02 0.00 0.00 177.57 178.61 3ndp h ILE 182 N 0.41 1.28 -0.50 4.57 1.08 -0.95 -2.65 117.51 120.75 3ndp h ILE 182 Ca -0.04 -0.87 0.06 0.00 -0.39 0.00 0.00 64.86 63.62 3ndp h ILE 182 Cb 1.34 1.76 -0.05 0.00 -3.07 0.00 0.00 36.82 36.80 3ndp h ILE 182 CO 0.14 0.24 0.21 -0.33 -0.69 0.00 0.00 178.15 177.72 3ndp h GLU 183 N -0.23 0.40 0.05 2.37 4.39 -0.96 0.32 114.58 120.92 3ndp h GLU 183 Ca 0.01 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.71 3ndp h GLU 183 Cb 0.38 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 3ndp h GLU 183 CO 0.00 0.26 -0.46 1.25 -1.16 0.00 0.00 179.01 178.91 3ndp h LEU 184 N 0.41 -1.38 -1.33 1.33 5.85 -1.04 0.29 115.31 119.45 3ndp h LEU 184 Ca 0.24 0.16 -0.07 0.00 0.84 0.00 0.00 57.88 59.04 3ndp h LEU 184 Cb 0.21 0.53 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3ndp h LEU 184 CO -0.21 -0.49 -0.33 1.88 -0.34 0.00 0.00 178.44 178.94 3ndp h TYR 185 N -0.64 0.00 -0.55 1.25 0.99 -1.13 -2.30 116.97 114.60 3ndp h TYR 185 Ca 0.03 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.69 3ndp h TYR 185 Cb 0.69 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.40 3ndp h TYR 185 CO -0.43 0.33 0.08 -0.22 -0.00 0.00 0.00 178.16 177.92 3ndp h LYS 186 N 0.00 0.87 -0.26 4.88 3.64 0.35 -1.61 116.57 124.45 3ndp h LYS 186 Ca -0.00 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.08 3ndp h LYS 186 Cb 0.62 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3ndp h LYS 186 CO 0.04 0.82 -0.18 0.77 -2.27 0.00 0.00 179.45 178.64 3ndp h SER 187 N 0.83 0.61 0.35 4.20 0.02 -0.43 -2.11 113.55 117.01 3ndp h SER 187 Ca 0.17 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3ndp h SER 187 Cb 0.38 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3ndp h SER 187 CO 0.01 0.91 0.00 0.54 -1.14 0.00 0.00 176.83 177.15 3ndp n ARG 188 N -4.41 0.13 -2.31 3.45 5.12 -0.95 -4.84 116.66 112.85 3ndp n ARG 188 Ca -0.04 0.49 -0.12 0.00 -1.93 0.00 0.00 57.85 56.25 3ndp n ARG 188 Cb 0.39 -1.82 -0.00 0.00 -1.16 0.00 0.00 32.46 29.87 3ndp n ARG 188 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ndp n GLY 189 N -0.65 -0.10 0.37 -0.13 0.00 -0.66 -4.90 105.19 99.12 3ndp n GLY 189 Ca 0.01 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.71 3ndp n GLY 189 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ndp n VAL 190 N -4.00 0.15 -2.91 1.61 0.24 -0.85 -5.02 118.33 107.56 3ndp n VAL 190 Ca -0.13 -0.58 -0.39 0.00 -2.04 0.00 0.00 64.34 61.21 3ndp n VAL 190 Cb 0.60 1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 33.99 3ndp n VAL 190 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3ndp s LEU 191 N -0.76 4.56 -0.24 1.34 2.96 -1.18 -1.31 118.68 124.05 3ndp s LEU 191 Ca 0.11 1.73 -0.04 0.00 -0.22 0.00 0.00 54.13 55.72 3ndp s LEU 191 Cb 0.08 -3.49 0.08 0.00 0.50 0.00 0.00 46.19 43.36 3ndp s LEU 191 CO 0.11 0.15 0.10 -1.00 -1.32 0.00 0.00 176.35 174.39 3ndp s HIS 192 N -1.24 0.55 -0.04 5.38 3.76 0.37 -4.94 115.29 119.13 3ndp s HIS 192 Ca 0.39 -0.78 -0.18 0.00 -0.15 0.00 0.00 55.06 54.35 3ndp s HIS 192 Cb -0.23 -0.94 -0.05 0.00 1.11 0.00 0.00 32.58 32.47 3ndp s HIS 192 CO 0.27 -0.69 0.49 -0.65 -0.85 0.00 0.00 174.74 173.31 3ndp s GLN 193 N 2.02 4.21 0.04 1.40 -0.21 -1.26 -1.39 119.66 124.47 3ndp s GLN 193 Ca 0.05 0.52 -0.02 0.00 0.02 0.00 0.00 55.36 55.94 3ndp s GLN 193 Cb -0.16 -3.34 -0.03 0.00 1.00 0.00 0.00 33.01 30.48 3ndp s GLN 193 CO -0.21 0.39 0.00 -0.06 -2.12 0.00 0.00 175.29 173.29 3ndp s PHE 194 N -0.17 0.39 0.15 0.91 0.40 0.21 -4.94 117.98 114.94 3ndp s PHE 194 Ca 0.27 -0.84 -0.31 0.00 -0.60 0.00 0.00 56.93 55.45 3ndp s PHE 194 Cb -0.17 -0.29 -0.09 0.00 0.51 0.00 0.00 43.02 42.99 3ndp s PHE 194 CO 0.13 -0.34 1.40 0.45 0.70 0.00 0.00 175.22 177.56 3ndp s SER 195 N -2.46 6.79 -0.05 1.36 0.15 -1.26 -1.03 113.70 117.19 3ndp s SER 195 Ca -0.00 2.42 0.15 0.00 0.70 0.00 0.00 55.95 59.22 3ndp s SER 195 Cb 0.02 -2.60 0.52 0.00 -1.71 0.00 0.00 66.02 62.25 3ndp s SER 195 CO -0.07 -0.66 1.41 0.61 1.20 0.00 0.00 173.24 175.73 3ndp n GLY 196 N 3.18 1.83 0.03 9.45 0.00 0.54 -4.38 105.19 115.84 3ndp n GLY 196 Ca 0.10 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 3ndp n GLY 196 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3ndp n THR 197 N 0.94 0.62 -2.68 2.61 5.66 -1.25 -3.65 114.28 116.52 3ndp n THR 197 Ca 0.19 0.36 -0.43 0.00 -3.05 0.00 0.00 64.05 61.12 3ndp n THR 197 Cb 0.59 -1.86 -0.02 0.00 -1.55 0.00 0.00 70.33 67.49 3ndp n THR 197 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3ndp s GLU 198 N -1.70 3.78 0.16 1.09 8.01 -1.26 -4.86 118.70 123.92 3ndp s GLU 198 Ca -0.10 -1.70 -0.11 0.00 0.01 0.00 0.00 54.97 53.07 3ndp s GLU 198 Cb 0.01 -5.29 0.02 0.00 -4.31 0.00 0.00 34.13 24.56 3ndp s GLU 198 CO 0.15 -2.09 1.58 1.15 0.01 0.00 0.00 175.26 176.06 3ndp h THR 199 N 5.96 1.27 -0.70 3.63 2.02 -1.86 -2.83 112.91 120.41 3ndp h THR 199 Ca 0.28 -1.24 -0.07 0.00 0.77 0.00 0.00 66.41 66.15 3ndp h THR 199 Cb 0.95 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 3ndp h THR 199 CO 1.36 0.43 0.16 0.78 0.37 0.00 0.00 175.52 178.62 3ndp h ASN 200 N 0.82 1.08 -0.59 4.18 4.21 -1.98 -1.19 115.58 122.12 3ndp h ASN 200 Ca 0.13 -0.24 0.11 0.00 1.21 0.00 0.00 56.30 57.51 3ndp h ASN 200 Cb 0.66 -0.28 -0.08 0.00 -1.12 0.00 0.00 38.32 37.50 3ndp h ASN 200 CO 0.05 1.04 0.15 0.11 -1.29 0.00 0.00 177.43 177.48 3ndp h LYS 201 N 1.07 0.28 0.00 0.81 6.56 -1.92 -2.61 116.57 120.76 3ndp h LYS 201 Ca 0.22 -0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.75 3ndp h LYS 201 Cb 0.39 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 3ndp h LYS 201 CO 0.01 0.18 -0.81 -0.84 -2.06 0.00 0.00 179.45 175.93 3ndp h ILE 202 N 0.29 0.19 -0.60 1.86 3.07 -1.36 -3.40 117.51 117.56 3ndp h ILE 202 Ca 0.30 -1.33 0.11 0.00 1.55 0.00 0.00 64.86 65.49 3ndp h ILE 202 Cb 0.43 1.81 -0.12 0.00 -0.27 0.00 0.00 36.82 38.68 3ndp h ILE 202 CO -0.37 0.11 -0.32 -0.25 -1.05 0.00 0.00 178.15 176.27 3ndp h TRP 203 N 0.00 -0.89 -0.56 0.16 2.91 -0.80 -0.05 115.95 116.72 3ndp h TRP 203 Ca -0.03 0.07 0.12 0.00 1.13 0.00 0.00 58.89 60.18 3ndp h TRP 203 Cb 1.16 0.48 -0.03 0.00 -0.51 0.00 0.00 29.16 30.26 3ndp h TRP 203 CO 0.00 -0.38 0.39 -1.00 -1.03 0.00 0.00 178.44 176.42 3ndp h PRO 204 N -0.15 0.21 -0.43 2.65 0.13 -1.77 0.35 132.00 132.99 3ndp h PRO 204 Ca 0.24 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 65.21 3ndp h PRO 204 Cb 0.55 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 3ndp h PRO 204 CO -0.68 0.14 -0.31 1.88 -0.23 0.00 0.00 178.00 178.79 3ndp h TYR 205 N 0.21 1.14 -0.20 1.56 -1.99 -1.30 -1.26 116.97 115.13 3ndp h TYR 205 Ca 0.27 -0.31 -0.15 0.00 2.00 0.00 0.00 58.73 60.53 3ndp h TYR 205 Cb 0.76 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 3ndp h TYR 205 CO -0.00 1.14 -0.50 0.28 -0.00 0.00 0.00 178.16 179.09 3ndp h VAL 206 N 0.80 1.31 -0.27 -2.88 2.07 -0.31 -2.09 116.25 114.89 3ndp h VAL 206 Ca 0.08 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 3ndp h VAL 206 Cb 0.90 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 3ndp h VAL 206 CO 0.08 0.54 0.12 0.22 0.02 0.00 0.00 177.57 178.54 3ndp h TYR 207 N 0.44 0.40 -0.63 1.57 5.03 -0.23 -2.18 116.97 121.37 3ndp h TYR 207 Ca 0.02 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 3ndp h TYR 207 Cb 1.02 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 39.15 3ndp h TYR 207 CO 0.04 0.39 0.37 1.15 -1.32 0.00 0.00 178.16 178.79 3ndp h THR 208 N 0.29 1.19 -0.70 1.81 2.02 -1.13 0.19 112.91 116.57 3ndp h THR 208 Ca 0.09 -0.44 0.04 0.00 0.77 0.00 0.00 66.41 66.86 3ndp h THR 208 Cb 0.15 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 3ndp h THR 208 CO -0.01 0.20 0.43 -0.07 0.37 0.00 0.00 175.52 176.44 3ndp h LEU 209 N 0.85 0.69 -0.29 2.58 3.38 -1.11 -1.26 115.31 120.14 3ndp h LEU 209 Ca 0.22 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 58.00 3ndp h LEU 209 Cb 0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3ndp h LEU 209 CO -0.04 0.47 -0.82 -0.26 0.09 0.00 0.00 178.44 177.88 3ndp h PHE 210 N 0.82 0.59 -0.26 1.13 -1.00 -1.06 -3.19 116.94 113.99 3ndp h PHE 210 Ca 0.29 -0.29 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 3ndp h PHE 210 Cb 0.06 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 3ndp h PHE 210 CO -0.05 1.08 0.09 1.03 -1.61 0.00 0.00 178.31 178.85 3ndp h SER 211 N 0.27 0.32 0.64 2.17 0.87 -0.12 0.48 113.55 118.17 3ndp h SER 211 Ca -0.05 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 3ndp h SER 211 Cb 1.42 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 3ndp h SER 211 CO 0.14 0.31 0.00 0.59 -0.53 0.00 0.00 176.83 177.34 3ndp n ASN 212 N -4.42 0.43 -0.00 6.23 3.02 -0.52 -3.72 115.26 116.28 3ndp n ASN 212 Ca 0.01 0.61 -0.00 0.00 -0.03 0.00 0.00 54.58 55.17 3ndp n ASN 212 Cb 0.13 -0.70 -0.00 0.00 -0.61 0.00 0.00 39.78 38.60 3ndp n ASN 212 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ndp n LYS 213 N -1.98 3.66 -4.38 3.52 5.02 -0.33 -5.03 118.16 118.64 3ndp n LYS 213 Ca 0.03 -0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.10 3ndp n LYS 213 Cb 0.20 -1.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.05 3ndp n LYS 213 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ndp s ILE 214 N -2.00 0.80 0.07 -0.18 -1.09 0.15 -5.00 121.20 113.96 3ndp s ILE 214 Ca -0.00 -0.33 -0.31 0.00 -2.23 0.00 0.00 60.65 57.78 3ndp s ILE 214 Cb 0.00 -0.74 -0.06 0.00 -1.58 0.00 0.00 42.46 40.08 3ndp s ILE 214 CO 0.01 0.27 1.25 -0.89 -1.23 0.00 0.00 174.94 174.35 3ndp s THR 215 N 0.47 3.83 0.06 2.92 2.01 -1.26 -3.93 115.64 119.74 3ndp s THR 215 Ca -0.08 1.31 -0.36 0.00 0.31 0.00 0.00 61.69 62.88 3ndp s THR 215 Cb -0.12 -3.84 -0.15 0.00 0.01 0.00 0.00 72.50 68.41 3ndp s THR 215 CO 0.01 0.10 1.54 -2.65 -0.69 0.00 0.00 174.62 172.93 3ndp n PRO 216 N 3.97 1.69 0.30 4.92 -0.02 -1.26 -4.83 135.00 139.76 3ndp n PRO 216 Ca 0.10 0.61 0.19 0.00 -2.02 0.00 0.00 63.50 62.38 3ndp n PRO 216 Cb 0.45 -2.33 0.88 0.00 -0.02 0.00 0.00 33.50 32.47 3ndp n PRO 216 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3ndp h ILE 217 N 3.88 0.03 -0.00 4.25 3.07 -1.59 -2.82 117.51 124.34 3ndp h ILE 217 Ca -0.47 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 65.60 3ndp h ILE 217 Cb 1.29 1.33 0.00 0.00 -0.27 0.00 0.00 36.82 39.17 3ndp h ILE 217 CO 0.86 0.01 -0.09 0.00 -1.05 0.00 0.00 178.15 177.88 3ndp n GLN 218 N -3.11 0.61 0.00 0.16 0.00 -1.26 -1.11 117.38 112.67 3ndp n GLN 218 Ca -0.01 -0.17 0.11 0.00 0.00 0.00 0.00 57.00 56.93 3ndp n GLN 218 Cb 0.22 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 29.01 3ndp n GLN 218 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3ndp n SER 219 N -1.04 2.38 -4.95 2.61 3.41 -1.06 -4.84 113.62 110.13 3ndp n SER 219 Ca 0.14 -1.69 -0.23 0.00 -0.26 0.00 0.00 58.87 56.83 3ndp n SER 219 Cb 0.27 0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 3ndp n SER 219 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ndp s LYS 220 N -2.14 3.44 0.21 4.33 1.02 -1.22 -5.00 119.74 120.39 3ndp s LYS 220 Ca 0.21 -0.45 -0.09 0.00 0.02 0.00 0.00 55.97 55.66 3ndp s LYS 220 Cb 0.18 -2.70 0.17 0.00 -0.52 0.00 0.00 37.83 34.95 3ndp s LYS 220 CO 0.42 0.17 1.86 1.49 -0.92 0.00 0.00 175.35 178.38 3ndp h GLU 221 N 0.81 1.07 -3.95 1.68 4.81 -1.94 -2.82 114.58 114.25 3ndp h GLU 221 Ca -0.50 -0.09 -0.72 0.00 -0.13 0.00 0.00 59.36 57.92 3ndp h GLU 221 Cb 1.22 -0.23 -0.08 0.00 0.63 0.00 0.00 28.75 30.30 3ndp h GLU 221 CO 0.61 0.74 2.76 0.00 -0.73 0.00 0.00 179.01 182.39 3ndp n ALA 222 N -2.34 5.39 -1.67 2.92 0.00 -1.26 -4.94 120.51 118.61 3ndp n ALA 222 Ca 0.08 -4.01 -0.52 0.00 0.00 0.00 0.00 53.44 48.99 3ndp n ALA 222 Cb 0.05 -3.38 -0.06 0.00 0.00 0.00 0.00 19.45 16.06 3ndp n ALA 222 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3ndp n TYR 223 N 5.55 2.14 -1.22 0.00 9.36 -1.06 -1.88 117.16 130.05 3ndp n TYR 223 Ca 0.48 0.23 -0.07 0.00 3.32 0.00 0.00 57.90 61.85 3ndp n TYR 223 Cb 0.39 -2.57 -0.03 0.00 -0.63 0.00 0.00 39.34 36.49 3ndp n TYR 223 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3ndp n LEU 224 N 6.62 0.09 -4.69 2.98 4.77 -0.27 -4.94 117.00 121.57 3ndp n LEU 224 Ca 0.26 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 56.00 3ndp n LEU 224 Cb 0.23 -2.61 -0.03 0.00 -2.33 0.00 0.00 43.42 38.68 3ndp n LEU 224 CO 0.77 -1.02 0.84 -0.70 -1.33 0.00 0.00 177.39 175.94 3ndp s GLU 225 N -2.61 4.40 0.64 3.23 2.12 -0.79 -4.99 118.70 120.70 3ndp s GLU 225 Ca 0.00 1.45 -0.12 0.00 0.36 0.00 0.00 54.97 56.66 3ndp s GLU 225 Cb 0.00 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 3ndp s GLU 225 CO 0.00 -0.37 1.04 -1.01 -0.54 0.00 0.00 175.26 174.39 3ndp s HIS 226 N 2.14 3.31 0.20 5.30 3.76 -1.26 -4.83 115.29 123.90 3ndp s HIS 226 Ca 0.50 1.39 0.19 0.00 -0.15 0.00 0.00 55.06 56.99 3ndp s HIS 226 Cb -0.19 -2.83 0.77 0.00 1.11 0.00 0.00 32.58 31.43 3ndp s HIS 226 CO 0.18 -0.96 1.78 0.45 -0.85 0.00 0.00 174.74 175.34 3ndp h HIS 227 N -0.31 0.00 -1.37 1.40 -0.00 -1.72 -3.07 115.15 110.07 3ndp h HIS 227 Ca -0.44 0.00 -0.66 0.00 -0.00 0.00 0.00 60.37 59.26 3ndp h HIS 227 Cb 1.20 0.00 -0.25 0.00 -0.00 0.00 0.00 27.41 28.36 3ndp h HIS 227 CO 0.63 0.34 0.86 0.72 -0.00 0.00 0.00 177.93 180.48 3ndp n HIS 228 N -3.58 2.78 -3.98 2.45 8.25 -1.26 -4.92 115.22 114.96 3ndp n HIS 228 Ca -0.00 -2.51 -0.28 0.00 -0.26 0.00 0.00 57.72 54.66 3ndp n HIS 228 Cb 0.47 -1.29 -0.17 0.00 1.12 0.00 0.00 29.99 30.12 3ndp n HIS 228 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ndp s HIS 229 N -3.49 1.83 -0.22 4.41 5.65 -1.16 -5.09 115.29 117.21 3ndp s HIS 229 Ca 0.56 -0.98 0.01 0.00 0.25 0.00 0.00 55.06 54.90 3ndp s HIS 229 Cb 0.44 -1.41 0.05 0.00 -1.18 0.00 0.00 32.58 30.48 3ndp s HIS 229 CO -0.20 -0.59 -0.09 -3.38 -0.65 0.00 0.00 174.74 169.83 3ndp s HIS 230 N 1.57 2.60 -2.00 3.88 -3.43 -1.26 -4.96 115.29 111.69 3ndp s HIS 230 Ca 0.05 -1.80 0.08 0.00 -0.80 0.00 0.00 55.06 52.58 3ndp s HIS 230 Cb -0.13 -1.69 0.48 0.00 -1.43 0.00 0.00 32.58 29.81 3ndp s HIS 230 CO -0.09 -0.78 0.93 1.58 -2.00 0.00 0.00 174.74 174.37