#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c20 s TRP 4 N 0.00 3.35 0.18 1.61 -0.11 -1.26 -5.07 118.94 117.64 1c20 s TRP 4 Ca 0.00 0.53 0.10 0.00 1.22 0.00 0.00 56.10 57.95 1c20 s TRP 4 Cb 0.00 -2.49 -0.04 0.00 -1.50 0.00 0.00 33.47 29.44 1c20 s TRP 4 CO 0.00 -0.02 -0.22 -1.54 -4.62 0.00 0.00 176.95 170.55 1c20 s SER 5 N 1.11 3.14 0.22 5.86 1.04 -1.26 -5.04 113.70 118.76 1c20 s SER 5 Ca 0.17 -0.86 -0.07 0.00 0.48 0.00 0.00 55.95 55.67 1c20 s SER 5 Cb -0.15 -0.22 0.17 0.00 0.10 0.00 0.00 66.02 65.93 1c20 s SER 5 CO 0.08 0.07 1.80 2.19 0.98 0.00 0.00 173.24 178.35 1c20 h PHE 6 N 3.26 1.23 -0.31 5.02 -5.15 -1.97 -1.98 116.94 117.03 1c20 h PHE 6 Ca -0.45 -0.07 -0.00 0.00 -0.20 0.00 0.00 57.97 57.24 1c20 h PHE 6 Cb 1.21 -0.38 -0.02 0.00 0.22 0.00 0.00 35.95 36.99 1c20 h PHE 6 CO 0.68 0.90 0.17 1.05 -2.00 0.00 0.00 178.31 179.12 1c20 h GLU 7 N 1.20 0.42 -0.89 6.09 4.11 -2.00 -1.32 114.58 122.18 1c20 h GLU 7 Ca 0.28 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.66 1c20 h GLU 7 Cb 0.16 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1c20 h GLU 7 CO -0.03 0.31 0.48 1.49 0.07 0.00 0.00 179.01 181.32 1c20 h GLU 8 N 0.43 1.26 0.00 1.06 4.81 -1.77 0.14 114.58 120.50 1c20 h GLU 8 Ca 0.11 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1c20 h GLU 8 Cb 0.01 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 1c20 h GLU 8 CO -0.02 0.93 -0.00 1.96 -0.73 0.00 0.00 179.01 181.15 1c20 h GLN 9 N 1.26 0.00 0.67 1.92 7.50 -1.14 -3.01 115.11 122.30 1c20 h GLN 9 Ca 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.43 1c20 h GLN 9 Cb 0.05 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.58 1c20 h GLN 9 CO -0.05 0.00 -0.32 0.35 -1.50 0.00 0.00 178.83 177.31 1c20 h PHE 10 N 0.00 -0.83 -0.13 2.96 3.04 -0.46 -2.79 116.94 118.73 1c20 h PHE 10 Ca -0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1c20 h PHE 10 Cb 0.26 0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 1c20 h PHE 10 CO 0.00 -0.52 0.08 1.57 -2.02 0.00 0.00 178.31 177.43 1c20 h LYS 11 N -1.24 0.17 -1.01 1.11 2.10 -1.48 -1.40 116.57 114.82 1c20 h LYS 11 Ca -0.09 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.56 1c20 h LYS 11 Cb 0.69 -0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 31.93 1c20 h LYS 11 CO 0.15 0.11 0.67 1.96 -2.00 0.00 0.00 179.45 180.34 1c20 h GLN 12 N 0.17 1.32 -0.41 0.07 4.20 -1.47 -0.88 115.11 118.12 1c20 h GLN 12 Ca 0.05 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1c20 h GLN 12 Cb -0.02 -0.30 -0.02 0.00 0.30 0.00 0.00 27.48 27.44 1c20 h GLN 12 CO -0.01 0.88 0.18 -0.24 -0.67 0.00 0.00 178.83 178.96 1c20 h VAL 13 N 1.36 1.15 -1.01 -0.54 3.04 -0.97 -1.62 116.25 117.66 1c20 h VAL 13 Ca 0.37 -0.44 0.04 0.00 -1.01 0.00 0.00 66.70 65.66 1c20 h VAL 13 Cb -0.16 0.65 -0.06 0.00 -2.01 0.00 0.00 31.29 29.71 1c20 h VAL 13 CO -0.08 0.17 0.66 -0.09 -1.01 0.00 0.00 177.57 177.22 1c20 h ARG 14 N 0.57 1.24 -0.33 4.17 9.65 -1.10 -0.44 114.38 128.13 1c20 h ARG 14 Ca 0.14 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1c20 h ARG 14 Cb 0.09 -0.28 -0.02 0.00 -1.39 0.00 0.00 29.97 28.37 1c20 h ARG 14 CO -0.02 0.82 0.18 -0.56 2.80 0.00 0.00 179.97 183.19 1c20 h GLN 15 N 1.28 0.45 -0.54 0.20 -0.00 -1.13 -1.00 115.11 114.36 1c20 h GLN 15 Ca 0.40 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 59.01 1c20 h GLN 15 Cb 0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.48 27.36 1c20 h GLN 15 CO -0.13 0.34 0.32 -0.07 -0.00 0.00 0.00 178.83 179.29 1c20 h LEU 16 N 0.46 0.66 -0.90 0.06 4.07 -1.02 -1.77 115.31 116.87 1c20 h LEU 16 Ca 0.12 -0.07 -0.06 0.00 0.08 0.00 0.00 57.88 57.96 1c20 h LEU 16 Cb 0.02 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.57 1c20 h LEU 16 CO -0.02 0.53 0.17 1.88 -1.08 0.00 0.00 178.44 179.92 1c20 h TYR 17 N 0.73 1.01 0.00 1.13 0.05 -1.09 -2.27 116.97 116.53 1c20 h TYR 17 Ca 0.19 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1c20 h TYR 17 Cb 0.00 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.45 1c20 h TYR 17 CO -0.02 0.82 0.00 0.39 -1.05 0.00 0.00 178.16 178.30 1c20 n GLU 18 N -4.26 0.61 -0.30 4.88 1.02 -0.47 -3.58 120.64 118.54 1c20 n GLU 18 Ca 0.05 0.02 0.09 0.00 -0.02 0.00 0.00 57.16 57.30 1c20 n GLU 18 Cb 0.23 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.46 1c20 n GLU 18 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1c20 h ILE 19 N 0.00 0.91 -2.17 -3.67 2.04 -0.75 -3.45 117.51 110.41 1c20 h ILE 19 Ca 0.00 -0.29 0.22 0.00 1.00 0.00 0.00 64.86 65.79 1c20 h ILE 19 Cb 0.07 -0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 36.06 1c20 h ILE 19 CO 0.00 0.15 0.63 0.21 0.00 0.00 0.00 178.15 179.14 1c20 s ASN 20 N -5.81 -0.08 -0.04 1.72 3.84 -1.23 -5.00 114.94 108.33 1c20 s ASN 20 Ca -0.11 -0.41 0.12 0.00 0.21 0.00 0.00 52.86 52.67 1c20 s ASN 20 Cb 0.22 0.39 0.41 0.00 -0.55 0.00 0.00 41.25 41.72 1c20 s ASN 20 CO 0.80 -0.74 1.29 -0.67 -2.79 0.00 0.00 177.10 174.98 1c20 n ASP 21 N -0.74 2.77 -4.59 -4.21 -0.08 -1.26 -4.91 116.55 103.52 1c20 n ASP 21 Ca -0.05 -2.17 -0.46 0.00 -1.51 0.00 0.00 54.79 50.59 1c20 n ASP 21 Cb 0.61 -0.39 -0.05 0.00 2.34 0.00 0.00 41.12 43.63 1c20 n ASP 21 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1c20 n ASP 22 N 0.63 3.14 -0.01 1.67 2.03 -1.26 -4.83 116.55 117.92 1c20 n ASP 22 Ca 0.15 0.56 0.01 0.00 0.52 0.00 0.00 54.79 56.03 1c20 n ASP 22 Cb 0.50 -1.42 0.32 0.00 -0.72 0.00 0.00 41.12 39.80 1c20 n ASP 22 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1c20 h PRO 23 N 12.15 0.54 -0.05 -0.67 0.14 -1.99 -2.51 132.00 139.60 1c20 h PRO 23 Ca -0.41 -0.09 0.00 0.00 0.14 0.00 0.00 66.00 65.64 1c20 h PRO 23 Cb 1.27 -0.09 -0.00 0.00 0.14 0.00 0.00 31.00 32.32 1c20 h PRO 23 CO 0.97 0.51 0.03 -0.22 0.14 0.00 0.00 178.00 179.44 1c20 h LYS 24 N 0.53 0.07 -0.71 0.86 3.64 -1.99 0.29 116.57 119.25 1c20 h LYS 24 Ca 0.12 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1c20 h LYS 24 Cb 0.23 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1c20 h LYS 24 CO -0.00 0.04 0.47 -0.09 -2.27 0.00 0.00 179.45 177.60 1c20 h ARG 25 N 0.07 0.93 -0.46 1.90 2.43 -1.90 0.11 114.38 117.46 1c20 h ARG 25 Ca 0.02 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1c20 h ARG 25 Cb -0.01 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1c20 h ARG 25 CO -0.01 0.62 0.31 -0.22 -1.51 0.00 0.00 179.97 179.16 1c20 h LYS 26 N 0.96 0.61 -0.42 0.20 3.64 -0.98 -1.28 116.57 119.29 1c20 h LYS 26 Ca 0.26 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1c20 h LYS 26 Cb -0.11 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 1c20 h LYS 26 CO -0.06 0.40 0.27 1.49 -2.27 0.00 0.00 179.45 179.28 1c20 h GLU 27 N 0.63 0.57 0.01 1.90 4.81 0.42 0.18 114.58 123.09 1c20 h GLU 27 Ca 0.17 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1c20 h GLU 27 Cb -0.07 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1c20 h GLU 27 CO -0.04 0.40 -0.00 0.35 -0.73 0.00 0.00 179.01 178.99 1c20 h PHE 28 N 0.57 -0.01 -0.29 0.92 3.57 -0.36 0.39 116.94 121.73 1c20 h PHE 28 Ca 0.15 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1c20 h PHE 28 Cb -0.03 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1c20 h PHE 28 CO -0.04 -0.00 0.19 -0.07 -2.23 0.00 0.00 178.31 176.16 1c20 h LEU 29 N -0.01 0.34 -0.71 0.59 3.38 -1.05 0.57 115.31 118.42 1c20 h LEU 29 Ca -0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1c20 h LEU 29 Cb 0.01 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1c20 h LEU 29 CO 0.00 0.25 0.47 -0.78 0.09 0.00 0.00 178.44 178.47 1c20 h ASP 30 N 0.39 0.81 0.03 -0.43 1.82 -0.66 -0.43 116.42 117.96 1c20 h ASP 30 Ca 0.11 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1c20 h ASP 30 Cb -0.04 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 39.76 1c20 h ASP 30 CO -0.02 0.59 -0.02 -0.78 -1.61 0.00 0.00 179.24 177.40 1c20 h ASP 31 N 0.96 -0.04 0.85 2.28 1.82 0.33 -1.71 116.42 120.91 1c20 h ASP 31 Ca 0.26 -0.56 -0.04 0.00 -0.39 0.00 0.00 57.03 56.29 1c20 h ASP 31 Cb -0.11 0.01 0.01 0.00 0.68 0.00 0.00 39.33 39.92 1c20 h ASP 31 CO -0.06 0.57 -0.41 0.25 -1.61 0.00 0.00 179.24 177.98 1c20 h LEU 32 N -0.67 -0.96 -1.01 2.28 5.85 0.20 -2.00 115.31 119.00 1c20 h LEU 32 Ca -0.00 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1c20 h LEU 32 Cb 0.60 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 1c20 h LEU 32 CO 0.01 -0.69 0.65 -0.26 -0.34 0.00 0.00 178.44 177.81 1c20 h PHE 33 N -1.14 1.22 -0.66 1.25 -1.00 -1.21 -1.63 116.94 113.78 1c20 h PHE 33 Ca -0.12 0.03 0.07 0.00 2.81 0.00 0.00 57.97 60.76 1c20 h PHE 33 Cb 0.87 -0.40 -0.06 0.00 3.61 0.00 0.00 35.95 39.97 1c20 h PHE 33 CO -0.01 0.66 0.34 0.66 -1.61 0.00 0.00 178.31 178.35 1c20 h SER 34 N 1.22 0.48 0.93 2.17 4.64 -1.06 1.49 113.55 123.43 1c20 h SER 34 Ca 0.42 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.73 1c20 h SER 34 Cb 0.09 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1c20 h SER 34 CO -0.15 0.30 -0.45 0.15 -0.87 0.00 0.00 176.83 175.81 1c20 h PHE 35 N 0.62 -1.16 0.00 4.77 3.57 -0.54 -3.03 116.94 121.16 1c20 h PHE 35 Ca 0.30 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 1c20 h PHE 35 Cb 0.24 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1c20 h PHE 35 CO -0.10 -0.72 -0.08 0.00 -2.23 0.00 0.00 178.31 175.18 1c20 h MET 36 N -1.34 0.00 0.00 1.11 -0.00 -1.29 -3.13 114.93 110.28 1c20 h MET 36 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.57 1c20 h MET 36 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.56 1c20 h MET 36 CO 0.21 0.08 0.18 1.04 -0.00 0.00 0.00 176.91 178.42 1c20 n GLN 37 N -3.22 0.00 -0.32 -0.10 1.13 0.51 -2.46 117.38 112.92 1c20 n GLN 37 Ca 0.00 0.19 0.20 0.00 -1.94 0.00 0.00 57.00 55.46 1c20 n GLN 37 Cb 0.34 -1.68 0.41 0.00 0.11 0.00 0.00 30.24 29.43 1c20 n GLN 37 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1c20 h LYS 38 N 0.00 0.29 -0.48 -1.09 3.64 -1.70 1.60 116.57 118.82 1c20 h LYS 38 Ca 0.00 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1c20 h LYS 38 Cb 0.36 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1c20 h LYS 38 CO 0.00 0.19 -0.23 0.00 -2.27 0.00 0.00 179.45 177.14 1c20 h ARG 39 N 0.29 1.00 0.00 1.90 3.08 -1.82 -3.47 114.38 115.37 1c20 h ARG 39 Ca 0.67 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1c20 h ARG 39 Cb 1.47 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1c20 h ARG 39 CO -0.62 1.12 0.00 0.41 -1.07 0.00 0.00 179.97 179.80 1c20 n GLY 40 N -0.09 0.82 3.64 0.04 0.00 0.54 -5.10 105.19 105.04 1c20 n GLY 40 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1c20 n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c20 s THR 41 N -2.00 3.59 0.00 2.61 -4.23 -1.26 -5.04 115.64 109.31 1c20 s THR 41 Ca 0.00 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1c20 s THR 41 Cb 0.00 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1c20 s THR 41 CO 0.00 -0.06 0.00 -0.81 -0.54 0.00 0.00 174.62 173.21 1c20 n PRO 42 N 0.07 1.47 0.00 3.99 -0.04 -1.26 -4.76 135.00 134.48 1c20 n PRO 42 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1c20 n PRO 42 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1c20 n PRO 42 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1c20 n ILE 43 N -0.76 0.00 -0.07 0.52 0.13 -1.26 -4.97 119.36 112.95 1c20 n ILE 43 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.55 1c20 n ILE 43 Cb 0.00 -0.19 -0.08 0.00 -0.84 0.00 0.00 39.64 38.53 1c20 n ILE 43 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 1c20 h ASN 44 N 0.00 0.00 -3.76 9.51 2.35 -1.94 -3.49 115.58 118.25 1c20 h ASN 44 Ca 0.00 -0.54 0.11 0.00 -0.55 0.00 0.00 56.30 55.32 1c20 h ASN 44 Cb 0.00 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 38.12 1c20 h ASN 44 CO 0.00 0.91 0.63 0.00 -1.65 0.00 0.00 177.43 177.31 1c20 s ARG 45 N -2.05 0.46 -0.38 0.81 1.70 -1.26 -5.02 118.95 113.22 1c20 s ARG 45 Ca -0.15 0.17 -0.06 0.00 -0.47 0.00 0.00 55.73 55.22 1c20 s ARG 45 Cb -0.00 0.22 0.07 0.00 -0.57 0.00 0.00 34.95 34.66 1c20 s ARG 45 CO 0.43 -0.13 0.17 -0.51 -1.08 0.00 0.00 175.30 174.17 1c20 s LEU 46 N -0.90 4.74 0.19 -1.89 2.01 -1.26 -5.08 118.68 116.48 1c20 s LEU 46 Ca 0.01 -1.43 -0.31 0.00 0.01 0.00 0.00 54.13 52.41 1c20 s LEU 46 Cb -0.01 -1.89 -0.10 0.00 0.01 0.00 0.00 46.19 44.19 1c20 s LEU 46 CO -0.02 -0.43 1.55 -2.84 1.01 0.00 0.00 176.35 175.62 1c20 s PRO 47 N 1.36 4.22 -0.38 1.29 0.02 -1.26 -4.91 135.00 135.34 1c20 s PRO 47 Ca 0.01 2.36 -0.17 0.00 0.02 0.00 0.00 61.00 63.22 1c20 s PRO 47 Cb -0.21 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1c20 s PRO 47 CO 0.01 -0.57 0.45 0.42 -0.33 0.00 0.00 177.00 176.98 1c20 s ILE 48 N 0.89 5.08 -0.42 2.83 -1.09 -1.26 -2.92 121.20 124.30 1c20 s ILE 48 Ca 0.68 0.01 -0.26 0.00 -2.23 0.00 0.00 60.65 58.86 1c20 s ILE 48 Cb -0.44 -3.96 0.02 0.00 -1.58 0.00 0.00 42.46 36.51 1c20 s ILE 48 CO 0.34 -0.27 0.92 -0.04 -1.23 0.00 0.00 174.94 174.67 1c20 s MET 49 N 2.22 3.67 0.06 2.79 -1.94 0.20 -4.83 119.30 121.47 1c20 s MET 49 Ca 0.15 0.34 0.00 0.00 -1.71 0.00 0.00 55.69 54.47 1c20 s MET 49 Cb -0.16 -3.87 0.00 0.00 2.01 0.00 0.00 34.83 32.81 1c20 s MET 49 CO 0.13 -1.10 0.00 0.00 -0.01 0.00 0.00 175.02 174.04 1c20 n ALA 50 N 7.00 0.00 0.07 3.03 0.00 -1.26 0.22 120.51 129.57 1c20 n ALA 50 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1c20 n ALA 50 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 1c20 n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1c20 n LYS 51 N 0.00 5.41 -3.60 0.00 5.02 -1.26 -5.03 118.16 118.71 1c20 n LYS 51 Ca 0.00 -0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1c20 n LYS 51 Cb 0.00 -0.65 -0.03 0.00 -0.02 0.00 0.00 35.03 34.33 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1c20 s SER 52 N -1.33 6.38 -0.12 4.39 0.01 0.59 -5.09 113.70 118.54 1c20 s SER 52 Ca 0.00 0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.74 1c20 s SER 52 Cb 0.01 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 1c20 s SER 52 CO 0.07 -0.11 -0.18 -0.69 0.41 0.00 0.00 173.24 172.74 1c20 s VAL 53 N -1.97 2.55 -0.49 3.43 1.01 -1.26 0.61 120.40 124.28 1c20 s VAL 53 Ca 0.39 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 61.27 1c20 s VAL 53 Cb -0.11 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1c20 s VAL 53 CO 0.30 0.54 1.97 -0.22 0.00 0.00 0.00 175.10 177.69 1c20 s LEU 54 N 0.39 3.38 -0.24 3.92 2.96 -1.15 -4.92 118.68 123.02 1c20 s LEU 54 Ca -0.14 0.84 -0.29 0.00 -0.22 0.00 0.00 54.13 54.32 1c20 s LEU 54 Cb -0.17 -2.85 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 1c20 s LEU 54 CO 0.07 -2.27 1.48 -0.62 -1.32 0.00 0.00 176.35 173.69 1c20 s ASP 55 N 8.38 6.52 0.59 3.68 -1.08 -1.26 -4.81 116.67 128.69 1c20 s ASP 55 Ca 0.79 1.48 0.28 0.00 -0.52 0.00 0.00 52.55 54.58 1c20 s ASP 55 Cb -0.17 -2.54 1.55 0.00 -1.46 0.00 0.00 42.92 40.30 1c20 s ASP 55 CO 0.26 -1.16 1.86 0.17 0.52 0.00 0.00 175.17 176.82 1c20 h LEU 56 N 11.27 0.00 -0.95 -1.34 8.10 -2.01 -0.07 115.31 130.31 1c20 h LEU 56 Ca -0.31 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.68 1c20 h LEU 56 Cb 1.13 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.31 1c20 h LEU 56 CO 1.01 0.00 0.56 0.22 -4.11 0.00 0.00 178.44 176.12 1c20 h TYR 57 N 0.00 1.25 -0.81 0.17 5.03 -2.01 -2.53 116.97 118.07 1c20 h TYR 57 Ca 0.00 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 1c20 h TYR 57 Cb 0.54 -0.41 -0.04 0.00 1.55 0.00 0.00 36.73 38.37 1c20 h TYR 57 CO 0.00 0.83 0.50 1.49 -1.32 0.00 0.00 178.16 179.66 1c20 h GLU 58 N 1.30 1.10 -0.06 1.82 4.57 -1.39 -1.50 114.58 120.42 1c20 h GLU 58 Ca 0.34 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1c20 h GLU 58 Cb -0.04 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.31 1c20 h GLU 58 CO -0.06 0.77 0.04 1.25 -1.18 0.00 0.00 179.01 179.82 1c20 h LEU 59 N 1.11 0.07 -0.11 1.64 5.85 -1.58 -1.54 115.31 120.74 1c20 h LEU 59 Ca 0.29 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1c20 h LEU 59 Cb -0.05 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1c20 h LEU 59 CO -0.06 0.05 0.08 0.22 -0.34 0.00 0.00 178.44 178.39 1c20 h TYR 60 N 0.08 0.14 -0.52 1.25 3.20 -1.26 -0.42 116.97 119.44 1c20 h TYR 60 Ca 0.02 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1c20 h TYR 60 Cb -0.01 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 1c20 h TYR 60 CO -0.08 0.09 0.28 -2.95 -1.64 0.00 0.00 178.16 173.87 1c20 h ASN 61 N 0.15 0.43 -0.85 -2.11 7.08 -1.12 -1.45 115.58 117.71 1c20 h ASN 61 Ca 0.04 0.02 -0.03 0.00 -3.08 0.00 0.00 56.30 53.25 1c20 h ASN 61 Cb -0.01 -0.07 -0.04 0.00 -2.08 0.00 0.00 38.32 36.12 1c20 h ASN 61 CO -0.01 0.30 0.40 -0.07 -2.08 0.00 0.00 177.43 175.97 1c20 h LEU 62 N 0.56 1.12 0.46 6.14 3.38 -1.01 -1.26 115.31 124.70 1c20 h LEU 62 Ca 0.22 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1c20 h LEU 62 Cb 0.09 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1c20 h LEU 62 CO -0.13 0.95 -0.22 0.58 0.09 0.00 0.00 178.44 179.70 1c20 h VAL 63 N 1.22 0.53 -0.92 1.22 2.07 -0.20 -2.95 116.25 117.22 1c20 h VAL 63 Ca 0.29 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1c20 h VAL 63 Cb 0.13 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1c20 h VAL 63 CO -0.04 0.03 0.52 0.40 0.02 0.00 0.00 177.57 178.50 1c20 h ILE 64 N -0.72 1.26 0.00 4.57 1.08 -1.24 -1.02 117.51 121.44 1c20 h ILE 64 Ca -0.06 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1c20 h ILE 64 Cb 0.53 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 1c20 h ILE 64 CO 0.10 0.29 0.28 0.00 -0.69 0.00 0.00 178.15 178.14 1c20 h ALA 65 N 1.28 1.26 -0.03 1.87 0.00 -1.06 0.79 119.26 123.37 1c20 h ALA 65 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1c20 h ALA 65 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1c20 h ALA 65 CO -0.05 -0.26 0.00 0.54 0.00 0.00 0.00 179.25 179.47 1c20 n ARG 66 N -2.66 2.04 0.00 0.00 5.12 -0.40 -4.92 116.66 115.85 1c20 n ARG 66 Ca -0.02 -1.52 0.00 0.00 -1.93 0.00 0.00 57.85 54.38 1c20 n ARG 66 Cb 0.33 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 1c20 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1c20 n GLY 67 N 1.28 0.37 0.00 -0.13 0.00 0.27 -4.75 105.19 102.23 1c20 n GLY 67 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1c20 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c20 n GLY 68 N -1.53 4.56 0.35 -0.02 0.00 -1.15 -4.77 105.19 102.62 1c20 n GLY 68 Ca 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 1c20 n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1c20 h LEU 69 N 0.00 1.04 -0.97 0.99 5.85 -1.95 -1.94 115.31 118.33 1c20 h LEU 69 Ca 0.00 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1c20 h LEU 69 Cb 0.00 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 1c20 h LEU 69 CO 0.00 0.75 0.64 0.58 -0.34 0.00 0.00 178.44 180.07 1c20 h VAL 70 N 1.23 1.25 -0.82 1.05 2.07 -1.96 -1.46 116.25 117.62 1c20 h VAL 70 Ca 0.33 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1c20 h VAL 70 Cb -0.14 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 29.42 1c20 h VAL 70 CO -0.07 0.24 0.34 -2.24 0.02 0.00 0.00 177.57 175.86 1c20 h ASP 71 N 1.31 1.11 0.01 0.57 3.04 -1.67 -0.69 116.42 120.11 1c20 h ASP 71 Ca 0.35 -0.16 -0.00 0.00 -3.24 0.00 0.00 57.03 53.98 1c20 h ASP 71 Cb -0.15 -0.29 0.00 0.00 -1.04 0.00 0.00 39.33 37.85 1c20 h ASP 71 CO -0.08 0.97 -0.01 0.58 -2.04 0.00 0.00 179.24 178.67 1c20 h VAL 72 N 1.18 1.00 0.22 4.15 2.07 -0.91 0.45 116.25 124.41 1c20 h VAL 72 Ca 0.27 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 1c20 h VAL 72 Cb 0.19 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1c20 h VAL 72 CO -0.03 0.01 -0.11 0.40 0.02 0.00 0.00 177.57 177.87 1c20 h ILE 73 N -0.04 0.80 -0.98 4.57 2.04 -1.01 2.21 117.51 125.09 1c20 h ILE 73 Ca -0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1c20 h ILE 73 Cb 0.04 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1c20 h ILE 73 CO 0.00 0.01 0.63 -1.13 0.00 0.00 0.00 178.15 177.66 1c20 h ASN 74 N -0.33 1.15 0.02 1.72 -1.24 -1.01 -1.99 115.58 113.90 1c20 h ASN 74 Ca -0.03 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.93 1c20 h ASN 74 Cb 0.25 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 39.01 1c20 h ASN 74 CO 0.05 0.86 -0.07 0.29 -1.29 0.00 0.00 177.43 177.27 1c20 n LYS 75 N -4.37 1.63 -3.67 6.67 4.76 0.16 -4.78 118.16 118.56 1c20 n LYS 75 Ca 0.11 -1.08 -0.31 0.00 -2.87 0.00 0.00 58.31 54.17 1c20 n LYS 75 Cb 0.03 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 31.79 1c20 n LYS 75 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1c20 n LYS 76 N 0.26 -1.24 -0.79 1.97 4.81 0.73 -4.86 118.16 119.04 1c20 n LYS 76 Ca 0.16 0.46 0.08 0.00 -0.87 0.00 0.00 58.31 58.14 1c20 n LYS 76 Cb 0.41 -4.15 0.38 0.00 0.02 0.00 0.00 35.03 31.68 1c20 n LYS 76 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1c20 n LEU 77 N -4.17 5.34 0.27 3.14 4.77 -0.53 -4.43 117.00 121.39 1c20 n LEU 77 Ca -0.09 -2.86 0.15 0.00 -0.03 0.00 0.00 56.01 53.17 1c20 n LEU 77 Cb 0.59 -0.65 0.87 0.00 -2.33 0.00 0.00 43.42 41.90 1c20 n LEU 77 CO 0.67 0.67 1.13 -0.50 -1.33 0.00 0.00 177.39 178.02 1c20 h TRP 78 N 3.71 0.00 -1.01 -1.77 4.06 -1.89 -0.88 115.95 118.17 1c20 h TRP 78 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 1c20 h TRP 78 Cb 1.82 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.93 1c20 h TRP 78 CO 0.96 0.00 0.67 0.37 -3.56 0.00 0.00 178.44 176.88 1c20 h GLN 79 N 0.00 1.32 -0.01 0.49 5.75 -1.98 -1.26 115.11 119.42 1c20 h GLN 79 Ca 0.02 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1c20 h GLN 79 Cb 0.13 -0.30 -0.00 0.00 1.07 0.00 0.00 27.48 28.38 1c20 h GLN 79 CO -0.00 0.88 0.01 0.93 -2.65 0.00 0.00 178.83 177.99 1c20 h GLU 80 N 1.36 0.02 0.01 1.69 4.39 -1.50 0.98 114.58 121.52 1c20 h GLU 80 Ca 0.37 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.07 1c20 h GLU 80 Cb -0.15 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1c20 h GLU 80 CO -0.08 0.02 -0.00 0.82 -1.16 0.00 0.00 179.01 178.60 1c20 h ILE 81 N 0.01 1.01 -0.65 3.13 2.04 -1.52 -0.97 117.51 120.56 1c20 h ILE 81 Ca 0.00 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1c20 h ILE 81 Cb 0.00 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1c20 h ILE 81 CO -0.00 0.01 0.21 0.40 0.00 0.00 0.00 178.15 178.77 1c20 h ILE 82 N -0.02 1.25 -0.79 -0.67 2.04 -1.05 -2.56 117.51 115.71 1c20 h ILE 82 Ca -0.00 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.02 1c20 h ILE 82 Cb 0.02 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1c20 h ILE 82 CO 0.00 0.33 0.52 0.50 0.00 0.00 0.00 178.15 179.50 1c20 h LYS 83 N 0.94 1.03 -0.63 2.37 3.64 0.13 1.71 116.57 125.77 1c20 h LYS 83 Ca 0.21 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.59 1c20 h LYS 83 Cb 0.29 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1c20 h LYS 83 CO -0.01 0.68 0.33 0.78 -2.27 0.00 0.00 179.45 178.97 1c20 h GLY 84 N 1.06 0.91 -3.45 5.01 0.00 -0.75 -3.23 103.07 102.62 1c20 h GLY 84 Ca 0.29 -0.23 -0.25 0.00 0.00 0.00 0.00 47.33 47.14 1c20 h GLY 84 CO -0.06 0.13 -0.89 1.04 0.00 0.00 0.00 176.54 176.76 1c20 n LEU 85 N -4.82 2.48 -0.08 3.11 4.77 -0.93 -5.07 117.00 116.46 1c20 n LEU 85 Ca 0.07 -3.37 0.00 0.00 -0.03 0.00 0.00 56.01 52.68 1c20 n LEU 85 Cb 0.17 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1c20 n LEU 85 CO 0.29 1.24 0.00 1.41 -1.33 0.00 0.00 177.39 178.99 1c20 n HIS 86 N -0.46 0.00 0.07 -1.77 8.25 0.58 -4.82 115.22 117.07 1c20 n HIS 86 Ca 0.18 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.46 1c20 n HIS 86 Cb 0.91 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.92 1c20 n HIS 86 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1c20 h LEU 87 N 0.20 0.76 -0.95 2.41 3.38 -1.93 -3.31 115.31 115.87 1c20 h LEU 87 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1c20 h LEU 87 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1c20 h LEU 87 CO 0.00 1.46 0.00 -2.65 0.09 0.00 0.00 178.44 177.34 1c20 n PRO 88 N -3.78 0.01 0.25 1.13 -0.02 -1.26 -2.28 135.00 129.06 1c20 n PRO 88 Ca -0.11 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.54 1c20 n PRO 88 Cb 0.92 -1.01 0.65 0.00 -0.02 0.00 0.00 33.50 34.04 1c20 n PRO 88 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1c20 h SER 89 N 0.94 0.00 0.00 2.55 4.64 -1.94 -3.23 113.55 116.51 1c20 h SER 89 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c20 h SER 89 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1c20 h SER 89 CO 0.00 0.00 -0.07 -1.54 -0.87 0.00 0.00 176.83 174.35 1c20 n SER 90 N -2.90 0.00 -4.29 4.97 3.41 -0.96 -5.11 113.62 108.73 1c20 n SER 90 Ca 0.01 -1.14 -0.16 0.00 -0.26 0.00 0.00 58.87 57.33 1c20 n SER 90 Cb 0.29 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.11 1c20 n SER 90 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1c20 s ILE 91 N 0.00 0.73 -0.13 -1.33 1.09 -1.20 -5.07 121.20 115.29 1c20 s ILE 91 Ca 0.00 -2.00 0.19 0.00 -1.10 0.00 0.00 60.65 57.74 1c20 s ILE 91 Cb 0.00 -2.37 0.38 0.00 -1.06 0.00 0.00 42.46 39.41 1c20 s ILE 91 CO 0.00 -0.26 1.18 0.35 -0.10 0.00 0.00 174.94 176.10 1c20 n THR 92 N -0.37 0.39 -2.09 2.92 -2.24 -1.26 -4.16 114.28 107.46 1c20 n THR 92 Ca -0.04 -1.41 -0.03 0.00 -2.27 0.00 0.00 64.05 60.30 1c20 n THR 92 Cb 0.64 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 1c20 n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1c20 n SER 93 N -0.23 -0.65 -0.05 3.42 2.88 -1.26 -5.01 113.62 112.72 1c20 n SER 93 Ca -0.03 -1.32 -0.10 0.00 -1.33 0.00 0.00 58.87 56.08 1c20 n SER 93 Cb 0.92 0.25 -0.03 0.00 -0.75 0.00 0.00 64.21 64.60 1c20 n SER 93 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c20 h ALA 94 N 0.21 0.27 -0.87 -1.46 0.00 -1.97 0.55 119.26 116.00 1c20 h ALA 94 Ca -0.29 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1c20 h ALA 94 Cb 1.07 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1c20 h ALA 94 CO -0.14 -0.25 0.54 0.00 0.00 0.00 0.00 179.25 179.40 1c20 h ALA 95 N 1.08 1.19 -0.38 0.00 0.00 -1.95 0.15 119.26 119.36 1c20 h ALA 95 Ca 0.08 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1c20 h ALA 95 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1c20 h ALA 95 CO -0.02 0.29 -0.41 0.35 0.00 0.00 0.00 179.25 179.46 1c20 h PHE 96 N 0.98 1.13 -0.50 0.00 3.04 -1.87 -2.84 116.94 116.89 1c20 h PHE 96 Ca 0.38 -0.35 -0.10 0.00 3.98 0.00 0.00 57.97 61.88 1c20 h PHE 96 Cb 0.17 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.43 1c20 h PHE 96 CO -0.03 1.18 -0.08 1.15 -2.02 0.00 0.00 178.31 178.51 1c20 h THR 97 N 0.76 1.27 0.01 4.41 2.02 -0.06 -2.91 112.91 118.41 1c20 h THR 97 Ca 0.06 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 1c20 h THR 97 Cb 1.01 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1c20 h THR 97 CO 0.10 0.42 -0.00 -0.07 0.37 0.00 0.00 175.52 176.34 1c20 h LEU 98 N 0.80 -0.01 -1.02 2.58 3.38 -0.71 -2.54 115.31 117.78 1c20 h LEU 98 Ca 0.13 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1c20 h LEU 98 Cb 0.63 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1c20 h LEU 98 CO 0.04 0.18 0.66 0.08 0.09 0.00 0.00 178.44 179.49 1c20 h ARG 99 N -0.19 1.31 -0.24 1.13 0.11 -1.52 -0.34 114.38 114.63 1c20 h ARG 99 Ca -0.00 -0.08 -0.11 0.00 0.10 0.00 0.00 59.98 59.89 1c20 h ARG 99 Cb 0.19 -0.30 -0.00 0.00 1.11 0.00 0.00 29.97 30.97 1c20 h ARG 99 CO 0.00 0.87 -0.30 0.00 0.10 0.00 0.00 179.97 180.64 1c20 h THR 100 N 1.35 1.32 -0.31 0.08 1.03 -1.47 -1.10 112.91 113.80 1c20 h THR 100 Ca 0.36 -1.49 -0.11 0.00 -0.01 0.00 0.00 66.41 65.17 1c20 h THR 100 Cb -0.16 1.73 -0.01 0.00 -1.07 0.00 0.00 68.15 68.64 1c20 h THR 100 CO -0.08 0.47 -0.23 1.56 -0.01 0.00 0.00 175.52 177.23 1c20 h GLN 101 N 0.32 0.71 -0.58 0.00 4.20 -1.30 -1.05 115.11 117.41 1c20 h GLN 101 Ca 0.03 -0.34 0.01 0.00 0.06 0.00 0.00 58.65 58.40 1c20 h GLN 101 Cb 0.87 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 1c20 h GLN 101 CO 0.07 0.95 0.38 -0.92 -0.67 0.00 0.00 178.83 178.65 1c20 h TYR 102 N 0.47 0.73 -0.85 2.96 5.03 -1.09 -2.18 116.97 122.04 1c20 h TYR 102 Ca 0.06 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 1c20 h TYR 102 Cb 0.78 -0.25 -0.04 0.00 1.55 0.00 0.00 36.73 38.77 1c20 h TYR 102 CO 0.07 0.46 0.47 1.98 -1.32 0.00 0.00 178.16 179.82 1c20 h MET 103 N 0.79 1.18 -1.01 1.82 4.05 -1.01 0.81 114.93 121.56 1c20 h MET 103 Ca 0.21 -0.13 0.01 0.00 -0.28 0.00 0.00 59.70 59.51 1c20 h MET 103 Cb -0.09 -0.23 -0.05 0.00 -0.80 0.00 0.00 31.60 30.43 1c20 h MET 103 CO -0.05 0.86 0.67 -0.22 0.23 0.00 0.00 176.91 178.40 1c20 h LYS 104 N 1.19 1.33 0.00 0.39 3.64 -0.52 -3.37 116.57 119.22 1c20 h LYS 104 Ca 0.30 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1c20 h LYS 104 Cb 0.02 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 31.54 1c20 h LYS 104 CO -0.05 0.88 0.00 0.66 -2.27 0.00 0.00 179.45 178.67 1c20 n TYR 105 N -4.38 0.00 -0.02 1.91 4.01 -1.15 -4.89 117.16 112.63 1c20 n TYR 105 Ca 0.12 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.91 1c20 n TYR 105 Cb 0.01 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.91 1c20 n TYR 105 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1c20 n LEU 106 N -0.08 0.00 -0.09 7.72 4.77 0.26 -4.16 117.00 125.42 1c20 n LEU 106 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1c20 n LEU 106 Cb 0.01 0.08 0.18 0.00 -2.33 0.00 0.00 43.42 41.36 1c20 n LEU 106 CO 0.00 0.08 0.87 0.22 -1.33 0.00 0.00 177.39 177.24 1c20 h TYR 107 N 0.00 0.79 -0.07 -1.77 3.20 -1.04 -0.08 116.97 118.00 1c20 h TYR 107 Ca -0.09 -0.11 -0.20 0.00 3.14 0.00 0.00 58.73 61.47 1c20 h TYR 107 Cb 1.04 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 39.11 1c20 h TYR 107 CO 0.00 0.75 -0.73 -1.00 -1.64 0.00 0.00 178.16 175.54 1c20 h PRO 108 N 0.69 0.62 0.01 1.82 0.14 -1.83 -2.44 132.00 131.00 1c20 h PRO 108 Ca 0.13 -0.57 -0.00 0.00 0.14 0.00 0.00 66.00 65.70 1c20 h PRO 108 Cb 0.45 0.14 0.00 0.00 0.14 0.00 0.00 31.00 31.74 1c20 h PRO 108 CO 0.02 1.19 -0.00 -0.92 0.14 0.00 0.00 178.00 178.43 1c20 h TYR 109 N 0.25 -0.01 -0.25 1.56 3.20 -1.69 0.74 116.97 120.77 1c20 h TYR 109 Ca -0.07 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.85 1c20 h TYR 109 Cb 1.39 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.61 1c20 h TYR 109 CO 0.11 0.05 -0.06 1.49 -1.64 0.00 0.00 178.16 178.10 1c20 h GLU 110 N -0.06 -0.00 -0.68 1.82 4.81 -1.07 0.23 114.58 119.64 1c20 h GLU 110 Ca -0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1c20 h GLU 110 Cb 0.05 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1c20 h GLU 110 CO 0.00 -0.00 0.13 0.00 -0.73 0.00 0.00 179.01 178.42 1c20 h GLU 112 N 1.04 0.61 -0.23 0.00 4.57 0.13 2.31 114.58 123.00 1c20 h GLU 112 Ca 0.21 -0.18 -0.17 0.00 -1.18 0.00 0.00 59.36 58.04 1c20 h GLU 112 Cb 0.41 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1c20 h GLU 112 CO 0.01 0.71 -0.52 0.87 -1.18 0.00 0.00 179.01 178.90 1c20 h LYS 113 N 0.44 0.76 0.00 1.92 1.79 -0.44 -3.38 116.57 117.66 1c20 h LYS 113 Ca 0.10 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 1c20 h LYS 113 Cb 0.41 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1c20 h LYS 113 CO 0.01 1.13 -0.60 1.63 -1.08 0.00 0.00 179.45 180.54 1c20 n LYS 114 N -4.10 3.04 -3.75 3.15 4.76 -0.14 -5.03 118.16 116.08 1c20 n LYS 114 Ca -0.05 -0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.15 1c20 n LYS 114 Cb 0.61 -0.82 0.02 0.00 -1.84 0.00 0.00 35.03 33.00 1c20 n LYS 114 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1c20 n ASN 115 N -1.31 -1.40 -0.32 4.39 2.85 0.78 -4.85 115.26 115.40 1c20 n ASN 115 Ca -0.00 -0.88 -0.05 0.00 -0.11 0.00 0.00 54.58 53.54 1c20 n ASN 115 Cb 0.03 -3.76 0.08 0.00 1.24 0.00 0.00 39.78 37.36 1c20 n ASN 115 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1c20 h LEU 116 N -1.84 1.12 0.00 1.20 3.38 -1.79 -3.47 115.31 113.91 1c20 h LEU 116 Ca -0.62 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1c20 h LEU 116 Cb 1.36 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1c20 h LEU 116 CO 0.57 0.94 0.00 -1.54 0.09 0.00 0.00 178.44 178.50 1c20 n SER 117 N -4.31 0.00 -4.14 -0.43 3.41 -1.26 -5.11 113.62 101.78 1c20 n SER 117 Ca 0.09 -0.96 -0.14 0.00 -0.26 0.00 0.00 58.87 57.60 1c20 n SER 117 Cb 0.14 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.97 1c20 n SER 117 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1c20 s THR 118 N -2.83 0.84 0.65 6.66 -4.23 -1.26 -4.99 115.64 110.49 1c20 s THR 118 Ca 0.00 -1.45 0.16 0.00 -1.18 0.00 0.00 61.69 59.22 1c20 s THR 118 Cb 0.00 -1.13 0.18 0.00 1.34 0.00 0.00 72.50 72.89 1c20 s THR 118 CO 0.00 -0.48 1.45 -0.65 -0.54 0.00 0.00 174.62 174.40 1c20 h PRO 119 N 3.90 0.00 0.63 3.99 0.10 -2.02 -1.07 132.00 137.53 1c20 h PRO 119 Ca -0.37 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.70 1c20 h PRO 119 Cb 1.19 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.30 1c20 h PRO 119 CO 0.48 0.00 -0.30 0.00 0.10 0.00 0.00 178.00 178.28 1c20 h ALA 120 N 0.67 -0.84 0.00 -0.75 0.00 -2.01 -2.74 119.26 113.59 1c20 h ALA 120 Ca 0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1c20 h ALA 120 Cb 1.50 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1c20 h ALA 120 CO -0.00 -0.78 -0.25 1.05 0.00 0.00 0.00 179.25 179.26 1c20 h GLU 121 N -1.23 0.00 -0.65 0.00 -0.00 -1.64 -2.70 114.58 108.36 1c20 h GLU 121 Ca -0.09 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.28 1c20 h GLU 121 Cb 0.65 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.37 1c20 h GLU 121 CO 0.14 0.25 0.43 1.25 -0.00 0.00 0.00 179.01 181.09 1c20 h LEU 122 N 0.00 0.75 -1.01 3.06 5.85 -1.31 0.58 115.31 123.23 1c20 h LEU 122 Ca -0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1c20 h LEU 122 Cb 0.70 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1c20 h LEU 122 CO 0.03 0.54 0.66 1.56 -0.34 0.00 0.00 178.44 180.90 1c20 h GLN 123 N 0.88 1.32 -0.74 1.25 1.08 -1.16 0.22 115.11 117.96 1c20 h GLN 123 Ca 0.24 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1c20 h GLN 123 Cb -0.10 -0.30 -0.04 0.00 -0.05 0.00 0.00 27.48 27.00 1c20 h GLN 123 CO -0.05 0.88 0.49 0.00 -0.95 0.00 0.00 178.83 179.20 1c20 h ALA 124 N 1.37 1.46 -0.24 3.87 0.00 -1.08 1.14 119.26 125.79 1c20 h ALA 124 Ca 0.37 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1c20 h ALA 124 Cb -0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 1c20 h ALA 124 CO -0.08 0.50 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 1c20 h ALA 125 N 1.53 0.33 -0.27 0.00 0.00 0.14 0.38 119.26 121.37 1c20 h ALA 125 Ca 0.27 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1c20 h ALA 125 Cb -0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1c20 h ALA 125 CO -0.06 0.09 -0.30 0.82 0.00 0.00 0.00 179.25 179.80 1c20 h ILE 126 N 0.21 1.31 -0.74 0.00 2.04 0.15 -2.72 117.51 117.75 1c20 h ILE 126 Ca 0.07 -1.48 -0.06 0.00 1.00 0.00 0.00 64.86 64.38 1c20 h ILE 126 Cb 0.45 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1c20 h ILE 126 CO 0.02 0.47 0.21 -0.78 0.00 0.00 0.00 178.15 178.06 1c20 h ASP 127 N 0.40 1.09 -0.94 1.72 1.82 0.14 -2.56 116.42 118.10 1c20 h ASP 127 Ca 0.04 -0.22 0.02 0.00 -0.39 0.00 0.00 57.03 56.48 1c20 h ASP 127 Cb 0.87 -0.29 -0.05 0.00 0.68 0.00 0.00 39.33 40.55 1c20 h ASP 127 CO 0.07 1.03 0.62 1.23 -1.61 0.00 0.00 179.24 180.58 1c20 h GLY 128 N 1.11 1.34 -7.02 -0.78 0.00 -0.15 -3.38 103.07 94.18 1c20 h GLY 128 Ca 0.23 -0.48 -0.48 0.00 0.00 0.00 0.00 47.33 46.60 1c20 h GLY 128 CO -0.00 0.45 -0.76 0.21 0.00 0.00 0.00 176.54 176.44 1c20 s ASN 129 N -6.14 2.71 0.00 0.19 2.47 -0.98 -5.09 114.94 108.11 1c20 s ASN 129 Ca -0.12 -0.81 0.10 0.00 0.42 0.00 0.00 52.86 52.44 1c20 s ASN 129 Cb 0.18 -0.32 0.08 0.00 -1.45 0.00 0.00 41.25 39.74 1c20 s ASN 129 CO 0.81 -0.37 0.80 -2.11 -3.72 0.00 0.00 177.10 172.52