#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s03 h PRO 5 N 0.00 0.00 0.01 -0.67 0.11 -2.03 -1.82 132.00 127.60 1s03 h PRO 5 Ca 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.87 1s03 h PRO 5 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 1s03 h PRO 5 CO 0.00 0.00 -0.98 0.82 -0.21 0.00 0.00 178.00 177.63 1s03 h ILE 6 N 0.00 1.37 -0.31 4.15 1.08 -2.00 -3.10 117.51 118.71 1s03 h ILE 6 Ca 0.16 -2.41 0.05 0.00 -0.39 0.00 0.00 64.86 62.27 1s03 h ILE 6 Cb 1.41 2.43 -0.05 0.00 -3.07 0.00 0.00 36.82 37.54 1s03 h ILE 6 CO -0.00 0.73 0.01 0.00 -0.69 0.00 0.00 178.15 178.20 1s03 h ALA 7 N 0.64 0.29 -0.49 1.87 0.00 -1.74 -1.24 119.26 118.59 1s03 h ALA 7 Ca -0.10 0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1s03 h ALA 7 Cb 1.63 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.45 1s03 h ALA 7 CO 0.18 -0.39 -0.26 0.22 0.00 0.00 0.00 179.25 179.00 1s03 h ASP 8 N 0.11 -0.88 -0.35 0.00 1.82 -1.61 0.99 116.42 116.50 1s03 h ASP 8 Ca 0.15 0.19 0.08 0.00 -0.39 0.00 0.00 57.03 57.05 1s03 h ASP 8 Cb 0.19 0.46 -0.08 0.00 0.68 0.00 0.00 39.33 40.58 1s03 h ASP 8 CO -0.24 -0.27 -0.22 -0.03 -1.61 0.00 0.00 179.24 176.88 1s03 h MET 9 N -0.15 -0.16 -0.19 0.28 4.05 -1.40 0.50 114.93 117.86 1s03 h MET 9 Ca 0.22 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.59 1s03 h MET 9 Cb 0.50 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.33 1s03 h MET 9 CO -0.58 -0.11 -0.12 -0.07 0.23 0.00 0.00 176.91 176.27 1s03 h LEU 10 N -0.17 0.43 -0.80 3.39 3.38 0.43 -2.05 115.31 119.91 1s03 h LEU 10 Ca 0.17 -0.43 0.11 0.00 0.09 0.00 0.00 57.88 57.82 1s03 h LEU 10 Cb 0.44 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 1s03 h LEU 10 CO -0.45 0.77 0.44 0.74 0.09 0.00 0.00 178.44 180.03 1s03 h THR 11 N 0.10 0.85 -0.50 0.22 2.02 0.12 0.11 112.91 115.83 1s03 h THR 11 Ca 0.04 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 66.91 1s03 h THR 11 Cb 0.62 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1s03 h THR 11 CO 0.03 0.13 0.05 0.03 0.37 0.00 0.00 175.52 176.13 1s03 h ARG 12 N 0.71 0.86 0.97 6.66 3.08 0.09 0.15 114.38 126.89 1s03 h ARG 12 Ca 0.40 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 1s03 h ARG 12 Cb 0.43 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.40 1s03 h ARG 12 CO -0.28 0.87 -0.47 0.82 -1.07 0.00 0.00 179.97 179.84 1s03 h ILE 13 N 0.73 0.02 -0.96 2.04 2.04 -1.02 0.13 117.51 120.49 1s03 h ILE 13 Ca 0.15 -0.03 0.30 0.00 1.00 0.00 0.00 64.86 66.28 1s03 h ILE 13 Cb 0.45 0.02 -0.15 0.00 -0.74 0.00 0.00 36.82 36.40 1s03 h ILE 13 CO 0.02 0.00 0.42 -0.09 0.00 0.00 0.00 178.15 178.50 1s03 h ARG 14 N -1.33 0.24 0.00 2.37 2.43 -0.70 0.79 114.38 118.18 1s03 h ARG 14 Ca -0.13 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1s03 h ARG 14 Cb 1.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1s03 h ARG 14 CO 0.22 0.16 -0.10 -0.91 -1.51 0.00 0.00 179.97 177.83 1s03 h ASN 15 N 0.24 0.08 -0.86 -3.80 2.35 -0.61 -2.74 115.58 110.24 1s03 h ASN 15 Ca 0.67 -0.80 0.20 0.00 -0.55 0.00 0.00 56.30 55.83 1s03 h ASN 15 Cb 1.50 -0.03 -0.12 0.00 0.05 0.00 0.00 38.32 39.73 1s03 h ASN 15 CO -0.65 0.87 0.36 1.23 -1.65 0.00 0.00 177.43 177.58 1s03 h GLY 16 N -0.69 1.42 2.00 2.83 0.00 0.27 -0.73 103.07 108.17 1s03 h GLY 16 Ca -0.01 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1s03 h GLY 16 CO 0.02 -0.23 -0.58 1.46 0.00 0.00 0.00 176.54 177.21 1s03 h GLN 17 N 0.40 0.00 0.00 4.80 1.08 -0.93 -1.20 115.11 119.26 1s03 h GLN 17 Ca 0.52 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.63 1s03 h GLN 17 Cb 0.95 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 1s03 h GLN 17 CO -0.51 0.58 -0.45 0.00 -0.95 0.00 0.00 178.83 177.50 1s03 h ALA 18 N 1.42 0.92 -0.41 3.87 0.00 -0.90 -3.19 119.26 120.97 1s03 h ALA 18 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1s03 h ALA 18 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1s03 h ALA 18 CO 0.08 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1s03 n ALA 19 N -2.31 2.65 -1.42 0.00 0.00 -0.40 -4.97 120.51 114.06 1s03 n ALA 19 Ca -0.00 -1.61 -0.14 0.00 0.00 0.00 0.00 53.44 51.69 1s03 n ALA 19 Cb 0.57 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 19.28 1s03 n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s03 n ASN 20 N 0.40 -3.89 -4.74 0.00 3.02 -0.71 -4.91 115.26 104.43 1s03 n ASN 20 Ca 0.18 0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 54.67 1s03 n ASN 20 Cb 0.69 -3.56 -0.02 0.00 -0.61 0.00 0.00 39.78 36.28 1s03 n ASN 20 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s03 n LYS 21 N -1.93 2.73 0.09 3.52 4.76 -0.54 -4.90 118.16 121.89 1s03 n LYS 21 Ca -0.14 0.98 -0.04 0.00 -2.87 0.00 0.00 58.31 56.23 1s03 n LYS 21 Cb 0.48 -2.78 0.16 0.00 -1.84 0.00 0.00 35.03 31.05 1s03 n LYS 21 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s03 h ALA 22 N 5.42 0.94 -2.76 7.82 0.00 -1.91 -3.44 119.26 125.34 1s03 h ALA 22 Ca -0.46 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 53.80 1s03 h ALA 22 Cb 1.22 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.73 1s03 h ALA 22 CO 0.84 0.69 -0.60 0.00 0.00 0.00 0.00 179.25 180.18 1s03 s ALA 23 N -3.87 0.01 0.01 0.00 0.00 -1.26 -1.77 121.76 114.87 1s03 s ALA 23 Ca -0.04 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.45 1s03 s ALA 23 Cb 0.12 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1s03 s ALA 23 CO 0.79 -0.23 -0.20 0.14 0.00 0.00 0.00 175.76 176.26 1s03 s VAL 24 N -1.98 1.55 0.07 0.00 -7.23 -0.49 -4.97 120.40 107.36 1s03 s VAL 24 Ca -0.11 -0.95 0.07 0.00 -1.81 0.00 0.00 61.98 59.18 1s03 s VAL 24 Cb -0.05 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 1s03 s VAL 24 CO -0.02 0.35 -0.18 0.28 -0.31 0.00 0.00 175.10 175.21 1s03 s THR 25 N -0.58 1.45 0.23 5.32 -1.32 -1.26 -0.34 115.64 119.14 1s03 s THR 25 Ca 0.07 -1.32 -0.18 0.00 -1.21 0.00 0.00 61.69 59.06 1s03 s THR 25 Cb -0.08 -1.32 0.02 0.00 -1.51 0.00 0.00 72.50 69.61 1s03 s THR 25 CO 0.00 -0.03 0.57 0.00 -2.21 0.00 0.00 174.62 172.95 1s03 s MET 26 N -1.58 1.51 0.31 7.08 0.23 -0.18 -4.96 119.30 121.71 1s03 s MET 26 Ca 0.04 -0.95 -0.30 0.00 -1.03 0.00 0.00 55.69 53.45 1s03 s MET 26 Cb -0.09 0.54 -0.12 0.00 -1.53 0.00 0.00 34.83 33.63 1s03 s MET 26 CO 0.03 -0.65 1.58 -2.30 -2.03 0.00 0.00 175.02 171.64 1s03 n PRO 27 N -0.38 2.70 -2.38 3.16 -0.02 -1.26 0.13 135.00 136.95 1s03 n PRO 27 Ca -0.07 0.96 -0.28 0.00 -2.02 0.00 0.00 63.50 62.09 1s03 n PRO 27 Cb 0.62 -2.73 0.02 0.00 -0.02 0.00 0.00 33.50 31.38 1s03 n PRO 27 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1s03 s SER 28 N 0.41 5.93 0.24 2.55 0.15 -1.08 -4.61 113.70 117.28 1s03 s SER 28 Ca 0.62 0.92 -0.10 0.00 0.70 0.00 0.00 55.95 58.10 1s03 s SER 28 Cb -0.49 -2.04 -0.01 0.00 -1.71 0.00 0.00 66.02 61.77 1s03 s SER 28 CO 0.51 -0.87 0.39 -0.94 1.20 0.00 0.00 173.24 173.53 1s03 s SER 29 N -4.21 0.01 0.15 5.45 1.04 -1.26 -4.97 113.70 109.90 1s03 s SER 29 Ca 0.52 -1.06 -0.12 0.00 0.48 0.00 0.00 55.95 55.77 1s03 s SER 29 Cb -0.11 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1s03 s SER 29 CO 0.47 -1.08 1.58 0.11 0.98 0.00 0.00 173.24 175.30 1s03 h LYS 30 N 2.34 0.91 -0.68 4.02 1.79 -1.99 -1.72 116.57 121.24 1s03 h LYS 30 Ca -0.29 -0.32 -0.05 0.00 -2.18 0.00 0.00 60.65 57.81 1s03 h LYS 30 Cb 1.25 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.81 1s03 h LYS 30 CO 0.40 0.97 0.23 1.25 -1.08 0.00 0.00 179.45 181.22 1s03 h LEU 31 N 0.76 0.98 -0.65 2.94 5.85 -1.98 0.15 115.31 123.36 1s03 h LEU 31 Ca 0.13 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1s03 h LEU 31 Cb 0.61 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1s03 h LEU 31 CO 0.04 0.91 0.35 0.11 -0.34 0.00 0.00 178.44 179.51 1s03 h LYS 32 N 0.99 0.90 -0.39 1.25 1.57 -1.91 0.80 116.57 119.78 1s03 h LYS 32 Ca 0.22 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1s03 h LYS 32 Cb 0.27 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1s03 h LYS 32 CO -0.01 0.69 -0.02 0.28 -0.57 0.00 0.00 179.45 179.81 1s03 h VAL 33 N 0.88 1.22 -0.22 0.50 2.07 -0.94 0.20 116.25 119.97 1s03 h VAL 33 Ca 0.23 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1s03 h VAL 33 Cb 0.05 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1s03 h VAL 33 CO -0.04 0.32 -0.07 0.00 0.02 0.00 0.00 177.57 177.81 1s03 h ALA 34 N 1.38 0.30 -0.60 1.67 0.00 0.48 -1.20 119.26 121.29 1s03 h ALA 34 Ca 0.12 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1s03 h ALA 34 Cb 0.41 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1s03 h ALA 34 CO 0.02 0.10 0.31 0.82 0.00 0.00 0.00 179.25 180.50 1s03 h ILE 35 N 0.15 0.95 -0.61 0.00 2.04 -0.43 -2.27 117.51 117.34 1s03 h ILE 35 Ca 0.05 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.73 1s03 h ILE 35 Cb 0.53 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1s03 h ILE 35 CO 0.02 0.11 0.39 0.00 0.00 0.00 0.00 178.15 178.67 1s03 h ALA 36 N 1.32 0.79 -0.94 1.87 0.00 -0.27 -0.52 119.26 121.51 1s03 h ALA 36 Ca 0.27 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1s03 h ALA 36 Cb 0.17 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1s03 h ALA 36 CO -0.18 0.15 0.61 -0.97 0.00 0.00 0.00 179.25 178.86 1s03 h ASN 37 N 0.77 1.00 -0.20 0.00 -1.24 -0.69 -1.37 115.58 113.84 1s03 h ASN 37 Ca 0.24 -0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.19 1s03 h ASN 37 Cb -0.02 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.80 1s03 h ASN 37 CO -0.08 0.67 -0.09 0.58 -1.29 0.00 0.00 177.43 177.22 1s03 h VAL 38 N 1.16 1.30 -0.34 2.57 2.07 -0.70 -2.12 116.25 120.18 1s03 h VAL 38 Ca 0.38 -1.14 0.10 0.00 0.82 0.00 0.00 66.70 66.86 1s03 h VAL 38 Cb 0.05 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1s03 h VAL 38 CO -0.13 0.35 0.30 -0.07 0.02 0.00 0.00 177.57 178.03 1s03 h LEU 39 N 0.12 0.00 0.07 2.57 4.07 -0.48 -1.73 115.31 119.93 1s03 h LEU 39 Ca 0.05 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.82 1s03 h LEU 39 Cb 0.57 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 1s03 h LEU 39 CO 0.03 0.00 -0.94 0.50 -1.08 0.00 0.00 178.44 176.95 1s03 h LYS 40 N 0.00 0.14 -0.53 1.13 3.64 -0.98 -0.82 116.57 119.16 1s03 h LYS 40 Ca 0.16 -0.25 0.10 0.00 -1.27 0.00 0.00 60.65 59.40 1s03 h LYS 40 Cb 0.76 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.59 1s03 h LYS 40 CO -0.00 1.12 0.03 0.93 -2.27 0.00 0.00 179.45 179.25 1s03 h GLU 41 N -0.63 0.14 -5.62 1.90 5.08 -0.67 -3.32 114.58 111.46 1s03 h GLU 41 Ca -0.21 -0.01 -0.61 0.00 -1.00 0.00 0.00 59.36 57.53 1s03 h GLU 41 Cb 1.46 -0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.55 1s03 h GLU 41 CO 0.01 0.09 0.62 -1.21 -1.00 0.00 0.00 179.01 177.52 1s03 s GLU 42 N -6.15 3.14 0.00 2.33 0.41 -0.79 -4.89 118.70 112.75 1s03 s GLU 42 Ca -0.13 -0.68 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 1s03 s GLU 42 Cb 0.17 -4.20 0.00 0.00 -1.78 0.00 0.00 34.13 28.31 1s03 s GLU 42 CO 0.73 -1.83 0.00 0.41 -0.49 0.00 0.00 175.26 174.07 1s03 n GLY 43 N 5.31 0.00 0.01 -1.39 0.00 -1.25 -4.50 105.19 103.38 1s03 n GLY 43 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1s03 n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s03 n PHE 44 N 1.21 0.05 -3.94 1.61 3.72 -0.32 -4.94 117.46 114.84 1s03 n PHE 44 Ca 0.00 0.01 -0.10 0.00 -0.05 0.00 0.00 57.45 57.32 1s03 n PHE 44 Cb 0.00 -0.40 -0.10 0.00 -0.94 0.00 0.00 39.48 38.04 1s03 n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1s03 s ILE 45 N -3.37 0.12 -0.04 4.37 -4.36 -1.19 -4.42 121.20 112.31 1s03 s ILE 45 Ca -0.03 -0.97 -0.23 0.00 -0.26 0.00 0.00 60.65 59.16 1s03 s ILE 45 Cb 0.14 -0.60 -0.16 0.00 1.25 0.00 0.00 42.46 43.08 1s03 s ILE 45 CO 0.89 -0.54 1.00 -0.08 0.24 0.00 0.00 174.94 176.45 1s03 h GLU 46 N 4.11 -0.23 -3.11 0.37 4.81 -0.93 -3.42 114.58 116.18 1s03 h GLU 46 Ca -0.32 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 1s03 h GLU 46 Cb 1.19 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.49 1s03 h GLU 46 CO 0.46 0.18 0.07 0.34 -0.73 0.00 0.00 179.01 179.33 1s03 s ASP 47 N -5.41 -0.42 0.11 1.04 2.15 -1.22 -5.00 116.67 107.92 1s03 s ASP 47 Ca -0.13 -0.09 0.06 0.00 0.43 0.00 0.00 52.55 52.81 1s03 s ASP 47 Cb 0.01 0.53 -0.04 0.00 -0.30 0.00 0.00 42.92 43.13 1s03 s ASP 47 CO 0.51 -0.88 -0.14 0.72 -0.17 0.00 0.00 175.17 175.21 1s03 s PHE 48 N -3.55 1.33 0.10 -5.34 -0.12 -1.26 0.15 117.98 109.29 1s03 s PHE 48 Ca 0.01 -0.53 -0.15 0.00 -0.05 0.00 0.00 56.93 56.21 1s03 s PHE 48 Cb 0.00 -0.71 0.03 0.00 -0.63 0.00 0.00 43.02 41.71 1s03 s PHE 48 CO -0.11 0.11 0.35 -1.59 -0.05 0.00 0.00 175.22 173.93 1s03 s LYS 49 N -2.41 0.98 -0.11 1.99 -2.85 -0.63 -4.99 119.74 111.73 1s03 s LYS 49 Ca 0.06 -0.70 -0.02 0.00 -1.00 0.00 0.00 55.97 54.31 1s03 s LYS 49 Cb -0.06 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 1s03 s LYS 49 CO 0.03 -0.36 -0.03 0.08 0.10 0.00 0.00 175.35 175.17 1s03 s VAL 50 N -3.54 4.02 0.00 1.79 1.01 -1.26 -0.58 120.40 121.84 1s03 s VAL 50 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1s03 s VAL 50 Cb 0.02 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1s03 s VAL 50 CO -0.10 0.56 0.00 1.21 0.00 0.00 0.00 175.10 176.77 1s03 n GLU 51 N 2.74 3.01 0.00 2.72 2.13 -0.16 -4.94 120.64 126.14 1s03 n GLU 51 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1s03 n GLU 51 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 1s03 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s03 n GLY 52 N 5.00 -2.95 3.77 8.31 0.00 -1.26 -4.63 105.19 113.43 1s03 n GLY 52 Ca 0.00 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 1s03 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s03 s ASP 53 N -1.95 5.25 0.00 1.61 -1.08 -1.26 -4.29 116.67 114.95 1s03 s ASP 53 Ca 0.00 -0.35 0.00 0.00 -0.52 0.00 0.00 52.55 51.68 1s03 s ASP 53 Cb 0.00 -1.25 0.00 0.00 -1.46 0.00 0.00 42.92 40.21 1s03 s ASP 53 CO 0.00 -0.02 0.00 0.41 0.52 0.00 0.00 175.17 176.08 1s03 n THR 54 N -1.01 0.00 -3.52 1.71 -1.04 -1.26 -4.31 114.28 104.85 1s03 n THR 54 Ca -0.08 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.62 1s03 n THR 54 Cb 0.58 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.02 1s03 n THR 54 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1s03 n LYS 55 N 0.00 2.68 -2.52 -2.82 4.81 -1.26 -5.09 118.16 113.95 1s03 n LYS 55 Ca 0.00 -4.58 -0.35 0.00 -0.87 0.00 0.00 58.31 52.51 1s03 n LYS 55 Cb 0.00 -2.33 -0.03 0.00 0.02 0.00 0.00 35.03 32.68 1s03 n LYS 55 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1s03 s PRO 56 N -2.07 3.93 -0.06 1.64 0.02 -1.26 -4.63 135.00 132.56 1s03 s PRO 56 Ca 0.33 1.44 0.05 0.00 0.02 0.00 0.00 61.00 62.85 1s03 s PRO 56 Cb 0.05 -2.28 -0.01 0.00 0.02 0.00 0.00 34.50 32.28 1s03 s PRO 56 CO -0.05 -0.33 -0.23 -1.21 -0.33 0.00 0.00 177.00 174.84 1s03 s GLU 57 N -2.92 2.40 -0.21 5.54 2.02 -1.26 -2.64 118.70 121.63 1s03 s GLU 57 Ca 0.64 -0.82 -0.14 0.00 0.02 0.00 0.00 54.97 54.67 1s03 s GLU 57 Cb -0.19 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 1s03 s GLU 57 CO 0.24 0.31 0.30 -1.17 0.02 0.00 0.00 175.26 174.96 1s03 s LEU 58 N -0.03 4.16 -0.21 1.80 2.96 0.34 -0.99 118.68 126.72 1s03 s LEU 58 Ca -0.06 0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 54.16 1s03 s LEU 58 Cb -0.14 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1s03 s LEU 58 CO 0.04 0.00 0.08 -1.61 -1.32 0.00 0.00 176.35 173.54 1s03 s GLU 59 N 1.06 3.91 -0.12 1.98 2.02 0.25 -1.01 118.70 126.79 1s03 s GLU 59 Ca 0.15 -0.37 -0.00 0.00 0.02 0.00 0.00 54.97 54.77 1s03 s GLU 59 Cb -0.14 -3.28 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 1s03 s GLU 59 CO 0.06 0.13 -0.13 -0.51 0.02 0.00 0.00 175.26 174.84 1s03 s LEU 60 N 0.77 2.75 -0.43 1.80 1.43 0.53 -1.61 118.68 123.92 1s03 s LEU 60 Ca 0.04 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 1s03 s LEU 60 Cb -0.13 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.50 1s03 s LEU 60 CO 0.02 0.18 0.45 -0.89 0.23 0.00 0.00 176.35 176.34 1s03 s THR 61 N 0.26 5.08 0.90 5.49 2.01 0.12 -1.40 115.64 128.10 1s03 s THR 61 Ca -0.09 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 1s03 s THR 61 Cb -0.15 -4.07 0.13 0.00 0.01 0.00 0.00 72.50 68.41 1s03 s THR 61 CO 0.05 -0.48 1.09 -0.76 -0.69 0.00 0.00 174.62 173.84 1s03 s LEU 62 N 2.13 2.20 0.02 4.42 1.43 -0.73 -0.40 118.68 127.76 1s03 s LEU 62 Ca 0.11 1.42 0.06 0.00 -1.03 0.00 0.00 54.13 54.70 1s03 s LEU 62 Cb -0.18 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 1s03 s LEU 62 CO 0.13 -2.64 -0.18 -0.75 0.23 0.00 0.00 176.35 173.14 1s03 s LYS 63 N -4.97 1.33 -0.03 1.70 2.20 -1.26 -4.39 119.74 114.32 1s03 s LYS 63 Ca 0.63 -0.79 0.01 0.00 -0.36 0.00 0.00 55.97 55.46 1s03 s LYS 63 Cb -0.18 -1.36 0.02 0.00 -1.51 0.00 0.00 37.83 34.80 1s03 s LYS 63 CO 0.57 0.36 -0.03 0.71 -0.36 0.00 0.00 175.35 176.59 1s03 s TYR 64 N -0.67 0.54 -1.07 4.03 1.51 -1.26 -2.74 117.35 117.70 1s03 s TYR 64 Ca 0.06 -0.11 -0.07 0.00 -1.01 0.00 0.00 57.07 55.94 1s03 s TYR 64 Cb -0.08 -0.49 0.27 0.00 -0.11 0.00 0.00 41.96 41.55 1s03 s TYR 64 CO 0.01 -0.13 1.08 0.34 -1.11 0.00 0.00 175.55 175.74 1s03 n PHE 65 N 3.81 4.83 -3.55 2.71 7.35 -1.09 -4.70 117.46 126.82 1s03 n PHE 65 Ca -0.23 -3.86 -0.21 0.00 -0.76 0.00 0.00 57.45 52.39 1s03 n PHE 65 Cb 0.52 -1.55 0.08 0.00 0.35 0.00 0.00 39.48 38.88 1s03 n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1s03 n GLN 66 N 2.47 -6.93 0.00 -4.13 6.02 -1.26 -3.55 117.38 110.01 1s03 n GLN 66 Ca 0.24 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 58.03 1s03 n GLN 66 Cb 0.38 -5.79 0.00 0.00 1.02 0.00 0.00 30.24 25.85 1s03 n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s03 n GLY 67 N -1.54 0.90 3.63 1.08 0.00 -1.26 -5.10 105.19 102.90 1s03 n GLY 67 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1s03 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s03 s LYS 68 N -0.56 2.02 0.01 1.61 1.02 -1.23 -5.12 119.74 117.48 1s03 s LYS 68 Ca 0.00 -1.91 -0.15 0.00 0.02 0.00 0.00 55.97 53.93 1s03 s LYS 68 Cb 0.00 -1.81 -0.06 0.00 -0.52 0.00 0.00 37.83 35.44 1s03 s LYS 68 CO 0.00 0.03 0.41 0.00 -0.92 0.00 0.00 175.35 174.88 1s03 s ALA 69 N -2.61 3.70 0.12 5.17 0.00 -1.26 -2.67 121.76 124.21 1s03 s ALA 69 Ca 0.36 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.14 1s03 s ALA 69 Cb 0.04 -2.39 -0.18 0.00 0.00 0.00 0.00 23.12 20.60 1s03 s ALA 69 CO 0.19 0.48 1.27 0.28 0.00 0.00 0.00 175.76 177.99 1s03 h VAL 70 N 3.66 1.63 -3.27 0.00 2.07 -1.86 -3.41 116.25 115.07 1s03 h VAL 70 Ca -0.52 -3.18 -0.60 0.00 0.82 0.00 0.00 66.70 63.23 1s03 h VAL 70 Cb 1.22 2.79 -0.11 0.00 -1.52 0.00 0.00 31.29 33.67 1s03 h VAL 70 CO 0.62 0.91 0.62 -0.69 0.02 0.00 0.00 177.57 179.05 1s03 s VAL 71 N -2.80 4.36 0.09 2.57 1.01 -1.26 -4.91 120.40 119.46 1s03 s VAL 71 Ca -0.01 0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.47 1s03 s VAL 71 Cb 0.09 -4.55 -0.22 0.00 0.00 0.00 0.00 36.38 31.71 1s03 s VAL 71 CO 0.83 -1.10 1.17 -0.33 0.00 0.00 0.00 175.10 175.67 1s03 h GLU 72 N 9.30 0.02 -2.13 2.72 5.08 -1.80 -3.46 114.58 124.32 1s03 h GLU 72 Ca -0.26 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1s03 h GLU 72 Cb 1.07 0.01 -0.21 0.00 0.50 0.00 0.00 28.75 30.13 1s03 h GLU 72 CO 1.09 0.94 0.08 -1.54 -1.00 0.00 0.00 179.01 178.58 1s03 s SER 73 N -6.65 -0.67 -0.14 1.42 1.04 -1.26 -5.01 113.70 102.43 1s03 s SER 73 Ca -0.00 1.17 -0.03 0.00 0.48 0.00 0.00 55.95 57.56 1s03 s SER 73 Cb 0.09 1.15 0.05 0.00 0.10 0.00 0.00 66.02 67.42 1s03 s SER 73 CO 0.83 -0.32 0.06 -0.51 0.98 0.00 0.00 173.24 174.27 1s03 s ILE 74 N -0.03 0.15 0.07 -1.02 2.07 -1.26 -1.89 121.20 119.29 1s03 s ILE 74 Ca -0.03 -0.14 0.09 0.00 -1.41 0.00 0.00 60.65 59.17 1s03 s ILE 74 Cb -0.04 -0.63 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 1s03 s ILE 74 CO 0.03 -0.10 -0.23 -1.10 -1.91 0.00 0.00 174.94 171.63 1s03 s GLN 75 N 2.04 1.80 0.42 3.50 -0.21 -0.43 -4.91 119.66 121.86 1s03 s GLN 75 Ca 0.02 -1.13 -0.22 0.00 0.02 0.00 0.00 55.36 54.05 1s03 s GLN 75 Cb -0.15 -2.04 -0.10 0.00 1.00 0.00 0.00 33.01 31.71 1s03 s GLN 75 CO -0.07 0.50 0.98 1.03 -2.12 0.00 0.00 175.29 175.61 1s03 s ARG 76 N -1.57 4.20 0.00 2.91 0.52 -1.26 -2.01 118.95 121.73 1s03 s ARG 76 Ca 0.14 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.59 1s03 s ARG 76 Cb -0.10 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.06 1s03 s ARG 76 CO 0.05 -0.07 0.00 0.28 0.02 0.00 0.00 175.30 175.58 1s03 n VAL 77 N -0.44 0.00 -3.02 3.52 0.31 -0.87 -4.86 118.33 112.97 1s03 n VAL 77 Ca 0.06 0.12 -0.40 0.00 -0.01 0.00 0.00 64.34 64.12 1s03 n VAL 77 Cb 0.53 -1.12 -0.05 0.00 -0.91 0.00 0.00 33.84 32.28 1s03 n VAL 77 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1s03 s SER 78 N -4.71 7.20 0.08 4.52 0.15 -0.52 -4.83 113.70 115.58 1s03 s SER 78 Ca 0.00 1.44 0.01 0.00 0.70 0.00 0.00 55.95 58.10 1s03 s SER 78 Cb 0.00 -2.46 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1s03 s SER 78 CO 0.00 0.06 -0.06 -0.13 1.20 0.00 0.00 173.24 174.31 1s03 s ARG 79 N -0.24 0.72 0.03 5.44 0.52 -0.72 -4.88 118.95 119.82 1s03 s ARG 79 Ca 0.37 -1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 1s03 s ARG 79 Cb -0.21 -0.13 -0.08 0.00 0.52 0.00 0.00 34.95 35.05 1s03 s ARG 79 CO 0.23 -0.02 1.79 -1.25 0.02 0.00 0.00 175.30 176.06 1s03 s PRO 80 N -3.35 4.16 0.00 3.54 0.04 -1.26 -1.41 135.00 136.72 1s03 s PRO 80 Ca 0.06 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1s03 s PRO 80 Cb 0.02 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1s03 s PRO 80 CO -0.05 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.54 1s03 n GLY 81 N 4.26 3.33 2.89 0.56 0.00 -1.26 -4.93 105.19 110.04 1s03 n GLY 81 Ca 0.18 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 1s03 n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s03 s LEU 82 N 0.00 -0.47 0.16 0.99 0.20 -0.50 -5.14 118.68 113.92 1s03 s LEU 82 Ca 0.00 -1.37 -0.30 0.00 0.69 0.00 0.00 54.13 53.15 1s03 s LEU 82 Cb 0.00 0.96 -0.08 0.00 -0.43 0.00 0.00 46.19 46.64 1s03 s LEU 82 CO 0.00 -0.23 1.27 -0.13 -0.29 0.00 0.00 176.35 176.97 1s03 s ARG 83 N 1.53 4.41 -0.16 1.98 3.00 -1.03 -1.75 118.95 126.94 1s03 s ARG 83 Ca 0.17 1.96 0.01 0.00 0.00 0.00 0.00 55.73 57.87 1s03 s ARG 83 Cb -0.12 -3.24 0.02 0.00 0.00 0.00 0.00 34.95 31.61 1s03 s ARG 83 CO -0.04 -0.23 -0.18 0.42 0.00 0.00 0.00 175.30 175.27 1s03 s ILE 84 N 0.34 1.84 0.10 1.52 -1.09 -1.26 -4.93 121.20 117.72 1s03 s ILE 84 Ca 0.57 -0.81 0.06 0.00 -2.23 0.00 0.00 60.65 58.24 1s03 s ILE 84 Cb -0.34 -1.68 -0.03 0.00 -1.58 0.00 0.00 42.46 38.82 1s03 s ILE 84 CO 0.35 0.50 -0.15 -0.31 -1.23 0.00 0.00 174.94 174.11 1s03 s TYR 85 N 1.34 1.36 -0.01 3.97 1.51 -1.26 -1.47 117.35 122.79 1s03 s TYR 85 Ca 0.04 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 1s03 s TYR 85 Cb -0.13 -0.74 0.01 0.00 -0.11 0.00 0.00 41.96 40.99 1s03 s TYR 85 CO -0.11 0.11 -0.03 0.15 -1.11 0.00 0.00 175.55 174.57 1s03 s LYS 86 N -2.23 0.31 0.84 -0.62 -0.14 0.08 -4.96 119.74 113.02 1s03 s LYS 86 Ca 0.04 -0.07 -0.11 0.00 -1.36 0.00 0.00 55.97 54.47 1s03 s LYS 86 Cb -0.07 -0.35 0.10 0.00 -1.68 0.00 0.00 37.83 35.82 1s03 s LYS 86 CO 0.03 0.01 1.09 1.03 -0.76 0.00 0.00 175.35 176.75 1s03 s ARG 87 N 0.24 1.71 0.29 1.68 0.52 -1.26 -0.28 118.95 121.85 1s03 s ARG 87 Ca -0.02 0.91 -0.03 0.00 -0.52 0.00 0.00 55.73 56.06 1s03 s ARG 87 Cb -0.05 -1.85 0.59 0.00 0.52 0.00 0.00 34.95 34.15 1s03 s ARG 87 CO -0.01 -1.95 1.58 -0.22 0.02 0.00 0.00 175.30 174.72 1s03 h LYS 88 N -1.34 0.02 0.00 3.54 3.64 -1.89 -0.88 116.57 119.65 1s03 h LYS 88 Ca -0.47 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1s03 h LYS 88 Cb 1.26 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1s03 h LYS 88 CO 0.54 0.01 -0.12 -0.25 -2.27 0.00 0.00 179.45 177.37 1s03 n ASP 89 N -5.51 0.30 0.00 4.20 8.00 -1.26 -3.02 116.55 119.26 1s03 n ASP 89 Ca 0.19 0.38 0.11 0.00 0.71 0.00 0.00 54.79 56.18 1s03 n ASP 89 Cb 0.61 -0.41 0.08 0.00 -0.02 0.00 0.00 41.12 41.39 1s03 n ASP 89 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1s03 n GLU 90 N -1.71 0.02 -1.60 -1.24 1.02 -0.36 -4.96 120.64 111.81 1s03 n GLU 90 Ca 0.06 -0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.87 1s03 n GLU 90 Cb 0.37 -1.51 0.06 0.00 -0.02 0.00 0.00 31.44 30.34 1s03 n GLU 90 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s03 s LEU 91 N -3.08 3.31 0.06 -4.62 1.43 -1.10 -4.89 118.68 109.79 1s03 s LEU 91 Ca 0.09 2.03 -0.33 0.00 -1.03 0.00 0.00 54.13 54.90 1s03 s LEU 91 Cb 0.17 -4.55 -0.17 0.00 0.03 0.00 0.00 46.19 41.66 1s03 s LEU 91 CO 0.78 -1.84 0.81 -2.65 0.23 0.00 0.00 176.35 173.68 1s03 n PRO 92 N -2.69 0.00 -0.84 1.29 -0.02 -1.26 -4.87 135.00 126.61 1s03 n PRO 92 Ca 0.11 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.53 1s03 n PRO 92 Cb 0.52 -1.21 0.20 0.00 -0.02 0.00 0.00 33.50 32.99 1s03 n PRO 92 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1s03 n LYS 93 N 1.21 1.91 -1.27 -0.52 3.00 -1.26 -4.93 118.16 116.30 1s03 n LYS 93 Ca 0.18 -3.17 0.00 0.00 -0.00 0.00 0.00 58.31 55.32 1s03 n LYS 93 Cb 0.12 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.30 1s03 n LYS 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1s03 n VAL 94 N -1.11 0.00 -0.08 3.15 0.31 -1.26 -5.03 118.33 114.32 1s03 n VAL 94 Ca 0.36 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.48 1s03 n VAL 94 Cb 1.10 -0.37 -0.12 0.00 -0.91 0.00 0.00 33.84 33.53 1s03 n VAL 94 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 1s03 n MET 95 N -1.49 0.68 -2.22 5.55 0.00 -1.26 -4.76 117.12 113.61 1s03 n MET 95 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 57.70 57.51 1s03 n MET 95 Cb 0.27 -1.60 -0.03 0.00 0.00 0.00 0.00 33.22 31.86 1s03 n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s03 s ALA 96 N -2.52 3.62 -0.40 3.17 0.00 -1.26 -4.93 121.76 119.44 1s03 s ALA 96 Ca -0.30 0.75 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1s03 s ALA 96 Cb 0.08 -3.65 0.39 0.00 0.00 0.00 0.00 23.12 19.94 1s03 s ALA 96 CO 0.65 -1.17 1.85 0.41 0.00 0.00 0.00 175.76 177.50 1s03 n GLY 97 N 3.79 4.34 0.00 0.00 0.00 -1.26 -3.86 105.19 108.20 1s03 n GLY 97 Ca 0.15 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1s03 n GLY 97 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s03 n LEU 98 N -0.41 0.00 -4.76 0.99 7.94 -1.26 -5.13 117.00 114.37 1s03 n LEU 98 Ca 0.43 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.92 1s03 n LEU 98 Cb 0.95 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.89 1s03 n LEU 98 CO 0.50 0.00 1.18 -0.83 -1.11 0.00 0.00 177.39 177.13 1s03 s GLY 99 N 0.00 2.44 -0.01 -3.96 0.00 -1.25 -4.70 107.32 99.83 1s03 s GLY 99 Ca 0.00 1.53 0.08 0.00 0.00 0.00 0.00 44.72 46.33 1s03 s GLY 99 CO 0.00 2.40 -0.25 -0.26 0.00 0.00 0.00 173.10 174.99 1s03 s ILE 100 N -0.41 1.97 0.01 0.90 -4.36 -0.85 -4.97 121.20 113.49 1s03 s ILE 100 Ca 0.59 -1.10 -0.06 0.00 -0.26 0.00 0.00 60.65 59.82 1s03 s ILE 100 Cb -0.46 -1.64 -0.05 0.00 1.25 0.00 0.00 42.46 41.56 1s03 s ILE 100 CO 0.52 0.52 0.26 0.00 0.24 0.00 0.00 174.94 176.48 1s03 s ALA 101 N -0.62 3.86 -0.19 2.27 0.00 -1.26 -1.45 121.76 124.38 1s03 s ALA 101 Ca 0.10 -0.61 -0.07 0.00 0.00 0.00 0.00 51.96 51.38 1s03 s ALA 101 Cb -0.10 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 1s03 s ALA 101 CO -0.01 0.67 0.06 0.08 0.00 0.00 0.00 175.76 176.56 1s03 s VAL 102 N -1.31 4.72 -0.04 0.00 1.01 -0.46 -0.88 120.40 123.44 1s03 s VAL 102 Ca 0.28 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1s03 s VAL 102 Cb -0.13 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 1s03 s VAL 102 CO 0.17 0.45 -0.18 -0.69 0.00 0.00 0.00 175.10 174.85 1s03 s VAL 103 N 0.47 1.46 -0.40 2.92 1.01 0.18 -1.42 120.40 124.62 1s03 s VAL 103 Ca 0.03 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1s03 s VAL 103 Cb -0.13 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1s03 s VAL 103 CO 0.01 0.42 0.43 -0.55 0.00 0.00 0.00 175.10 175.41 1s03 s SER 104 N 0.01 6.20 0.32 3.32 0.15 -0.21 -1.39 113.70 122.11 1s03 s SER 104 Ca -0.03 -0.53 0.09 0.00 0.70 0.00 0.00 55.95 56.18 1s03 s SER 104 Cb -0.11 -2.22 -0.05 0.00 -1.71 0.00 0.00 66.02 61.92 1s03 s SER 104 CO 0.02 -0.53 0.03 0.42 1.20 0.00 0.00 173.24 174.38 1s03 s THR 105 N 2.14 2.88 -1.79 6.45 -4.23 -0.59 -1.73 115.64 118.77 1s03 s THR 105 Ca 0.13 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 1s03 s THR 105 Cb -0.17 -2.82 0.06 0.00 1.34 0.00 0.00 72.50 70.91 1s03 s THR 105 CO 0.13 -0.24 0.73 -1.54 -0.54 0.00 0.00 174.62 173.17 1s03 n SER 106 N -0.97 0.00 -0.40 3.99 3.41 -1.26 0.27 113.62 118.66 1s03 n SER 106 Ca -0.04 0.04 0.04 0.00 -0.26 0.00 0.00 58.87 58.64 1s03 n SER 106 Cb 0.61 -0.11 0.09 0.00 -0.26 0.00 0.00 64.21 64.54 1s03 n SER 106 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s03 n LYS 107 N -1.11 2.28 0.00 4.33 4.76 -1.26 -5.09 118.16 122.07 1s03 n LYS 107 Ca 0.02 -1.66 0.00 0.00 -2.87 0.00 0.00 58.31 53.79 1s03 n LYS 107 Cb 0.01 -1.17 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 1s03 n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s03 n GLY 108 N 0.23 1.98 3.68 0.72 0.00 0.14 -5.01 105.19 106.93 1s03 n GLY 108 Ca 0.07 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 1s03 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s03 s VAL 109 N -1.57 4.85 0.35 1.61 1.01 -1.26 -1.54 120.40 123.84 1s03 s VAL 109 Ca 0.00 1.81 -0.05 0.00 0.00 0.00 0.00 61.98 63.74 1s03 s VAL 109 Cb 0.00 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.18 1s03 s VAL 109 CO 0.00 0.04 0.53 0.00 0.00 0.00 0.00 175.10 175.67 1s03 s MET 110 N 1.96 1.96 0.74 2.72 0.00 -0.48 -4.89 119.30 121.30 1s03 s MET 110 Ca 0.43 -1.69 -0.12 0.00 0.00 0.00 0.00 55.69 54.32 1s03 s MET 110 Cb -0.17 0.48 0.03 0.00 0.00 0.00 0.00 34.83 35.16 1s03 s MET 110 CO 0.16 -0.83 1.11 0.95 0.00 0.00 0.00 175.02 176.40 1s03 s THR 111 N -2.96 3.22 0.42 3.16 -4.23 -1.26 -0.65 115.64 113.33 1s03 s THR 111 Ca 0.28 0.40 0.12 0.00 -1.18 0.00 0.00 61.69 61.30 1s03 s THR 111 Cb -0.01 -3.34 0.32 0.00 1.34 0.00 0.00 72.50 70.81 1s03 s THR 111 CO 0.18 -0.52 1.97 -2.24 -0.54 0.00 0.00 174.62 173.48 1s03 h ASP 112 N -0.79 0.43 -0.37 3.99 2.03 -1.36 -0.82 116.42 119.53 1s03 h ASP 112 Ca -0.45 0.01 -0.11 0.00 -0.73 0.00 0.00 57.03 55.74 1s03 h ASP 112 Cb 1.27 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 39.67 1s03 h ASP 112 CO 0.63 0.26 -0.17 0.03 -1.03 0.00 0.00 179.24 178.97 1s03 h ARG 113 N 0.48 0.84 -0.11 4.15 3.08 -1.92 -2.16 114.38 118.75 1s03 h ARG 113 Ca 0.29 -0.32 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 1s03 h ARG 113 Cb 0.49 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1s03 h ARG 113 CO -0.09 0.95 -0.71 0.00 -1.07 0.00 0.00 179.97 179.06 1s03 h ALA 114 N 1.06 0.56 -0.40 0.04 0.00 -1.70 -2.83 119.26 115.99 1s03 h ALA 114 Ca 0.11 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1s03 h ALA 114 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1s03 h ALA 114 CO 0.05 0.73 -0.24 0.00 0.00 0.00 0.00 179.25 179.80 1s03 h ALA 115 N 0.86 0.83 -0.73 0.00 0.00 -1.14 -1.68 119.26 117.42 1s03 h ALA 115 Ca -0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1s03 h ALA 115 Cb 1.29 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1s03 h ALA 115 CO 0.13 0.64 0.41 0.00 0.00 0.00 0.00 179.25 180.43 1s03 h ARG 116 N 0.70 1.00 0.00 0.00 3.08 -1.18 -0.97 114.38 117.01 1s03 h ARG 116 Ca 0.09 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 1s03 h ARG 116 Cb 0.76 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1s03 h ARG 116 CO 0.06 0.72 -0.66 0.37 -1.07 0.00 0.00 179.97 179.39 1s03 h GLN 117 N 1.01 0.00 -0.01 0.04 4.15 -1.21 -2.85 115.11 116.25 1s03 h GLN 117 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1s03 h GLN 117 Cb -0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1s03 h GLN 117 CO -0.04 0.66 -0.15 0.00 -1.93 0.00 0.00 178.83 177.37 1s03 n ALA 118 N -2.27 2.85 -2.46 3.38 0.00 -0.67 -4.95 120.51 116.38 1s03 n ALA 118 Ca 0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.06 1s03 n ALA 118 Cb 0.79 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 19.00 1s03 n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s03 n GLY 119 N 1.28 0.34 3.24 0.00 0.00 -0.92 -5.05 105.19 104.08 1s03 n GLY 119 Ca 0.14 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1s03 n GLY 119 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s03 s LEU 120 N -2.23 2.20 0.00 0.99 1.43 -0.41 -4.87 118.68 115.79 1s03 s LEU 120 Ca 0.08 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1s03 s LEU 120 Cb -0.04 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.29 1s03 s LEU 120 CO 0.10 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1s03 n GLY 121 N 1.69 2.14 0.00 -3.19 0.00 -1.26 -4.07 105.19 100.50 1s03 n GLY 121 Ca -0.18 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1s03 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s03 n GLY 122 N 5.00 -1.41 3.73 -0.02 0.00 0.62 -4.54 105.19 108.57 1s03 n GLY 122 Ca 0.00 -1.23 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 1s03 n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s03 s GLU 123 N -1.99 4.47 -0.47 1.61 2.12 -0.71 -0.74 118.70 123.00 1s03 s GLU 123 Ca 0.00 1.02 -0.22 0.00 0.36 0.00 0.00 54.97 56.14 1s03 s GLU 123 Cb 0.00 -3.42 0.03 0.00 0.26 0.00 0.00 34.13 31.00 1s03 s GLU 123 CO 0.00 0.12 0.73 0.42 -0.54 0.00 0.00 175.26 176.00 1s03 s ILE 124 N 0.54 4.71 -0.04 -3.70 1.01 -0.54 -1.04 121.20 122.13 1s03 s ILE 124 Ca 0.40 0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.99 1s03 s ILE 124 Cb -0.19 -4.31 -0.26 0.00 0.01 0.00 0.00 42.46 37.71 1s03 s ILE 124 CO 0.21 -0.74 0.97 0.40 0.00 0.00 0.00 174.94 175.79 1s03 h ILE 125 N 5.93 1.53 -2.17 2.92 2.04 -1.57 -1.39 117.51 124.81 1s03 h ILE 125 Ca -0.25 -2.23 0.20 0.00 1.00 0.00 0.00 64.86 63.57 1s03 h ILE 125 Cb 1.09 2.94 -0.10 0.00 -0.74 0.00 0.00 36.82 40.01 1s03 h ILE 125 CO 0.95 0.62 0.55 0.00 0.00 0.00 0.00 178.15 180.28 1s03 s TYR 127 N -3.11 2.73 0.27 0.00 4.12 -0.85 -1.35 117.35 119.16 1s03 s TYR 127 Ca 0.12 -0.98 0.10 0.00 0.02 0.00 0.00 57.07 56.32 1s03 s TYR 127 Cb -0.00 -1.84 -0.04 0.00 -1.52 0.00 0.00 41.96 38.56 1s03 s TYR 127 CO -0.00 -0.42 -0.04 0.08 0.02 0.00 0.00 175.55 175.19 1s03 s VAL 128 N 0.62 3.26 0.00 0.71 1.01 -0.53 -1.32 120.40 124.15 1s03 s VAL 128 Ca -0.09 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 59.88 1s03 s VAL 128 Cb -0.16 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1s03 s VAL 128 CO 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 175.10 174.75