#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cih n GLU -4 N 0.00 0.00 -4.95 -0.78 1.02 -1.26 -5.03 120.64 109.64 1cih n GLU -4 Ca 0.00 -0.63 -0.32 0.00 -0.02 0.00 0.00 57.16 56.18 1cih n GLU -4 Cb 0.00 -0.36 -0.17 0.00 -0.02 0.00 0.00 31.44 30.89 1cih n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1cih s PHE -3 N 0.00 2.63 -0.06 -0.32 5.36 -1.26 -5.05 117.98 119.28 1cih s PHE -3 Ca 0.00 -1.12 0.05 0.00 -0.96 0.00 0.00 56.93 54.90 1cih s PHE -3 Cb 0.00 -1.77 -0.01 0.00 -0.34 0.00 0.00 43.02 40.91 1cih s PHE -3 CO 0.00 -0.48 -0.24 0.15 -1.46 0.00 0.00 175.22 173.20 1cih s LYS -2 N 0.54 2.53 0.63 10.12 -0.14 -1.26 -5.07 119.74 127.10 1cih s LYS -2 Ca -0.13 -0.86 -0.18 0.00 -1.36 0.00 0.00 55.97 53.43 1cih s LYS -2 Cb -0.17 -2.10 -0.02 0.00 -1.68 0.00 0.00 37.83 33.87 1cih s LYS -2 CO 0.04 0.32 1.30 0.00 -0.76 0.00 0.00 175.35 176.26 1cih s ALA -1 N -0.04 2.43 0.00 5.17 0.00 -1.26 -4.76 121.76 123.30 1cih s ALA -1 Ca -0.07 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1cih s ALA -1 Cb -0.14 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1cih s ALA -1 CO 0.04 -1.57 0.00 0.41 0.00 0.00 0.00 175.76 174.65 1cih n GLY 1 N 0.87 5.33 3.59 0.00 0.00 -1.26 -4.96 105.19 108.77 1cih n GLY 1 Ca 0.15 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 1cih n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cih s SER 2 N 1.00 6.27 0.26 1.61 0.15 -1.26 -4.92 113.70 116.80 1cih s SER 2 Ca 0.00 0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.85 1cih s SER 2 Cb 0.00 -2.22 0.33 0.00 -1.71 0.00 0.00 66.02 62.42 1cih s SER 2 CO 0.00 -0.26 1.66 0.00 1.20 0.00 0.00 173.24 175.83 1cih h ALA 3 N 8.25 0.99 -0.41 5.45 0.00 -1.90 -1.19 119.26 130.45 1cih h ALA 3 Ca -0.30 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1cih h ALA 3 Cb 1.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1cih h ALA 3 CO 0.68 0.61 0.20 0.87 0.00 0.00 0.00 179.25 181.60 1cih h LYS 4 N 0.39 0.59 -0.57 0.00 1.57 -1.92 0.20 116.57 116.83 1cih h LYS 4 Ca 0.04 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1cih h LYS 4 Cb 0.81 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1cih h LYS 4 CO 0.07 0.51 0.03 -0.22 -0.57 0.00 0.00 179.45 179.27 1cih h LYS 5 N 0.52 0.95 -0.63 3.15 3.64 -1.88 -2.70 116.57 119.62 1cih h LYS 5 Ca 0.14 -0.27 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 1cih h LYS 5 Cb 0.12 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1cih h LYS 5 CO -0.02 0.92 0.03 0.78 -2.27 0.00 0.00 179.45 178.89 1cih h GLY 6 N 1.01 1.17 1.16 5.01 0.00 -0.95 -1.84 103.07 108.62 1cih h GLY 6 Ca 0.17 -0.83 0.02 0.00 0.00 0.00 0.00 47.33 46.69 1cih h GLY 6 CO 0.02 0.76 0.55 0.00 0.00 0.00 0.00 176.54 177.87 1cih h ALA 7 N 1.03 1.43 0.00 3.60 0.00 -0.26 -0.66 119.26 124.40 1cih h ALA 7 Ca 0.18 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1cih h ALA 7 Cb 0.52 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1cih h ALA 7 CO 0.03 0.52 -0.50 1.79 0.00 0.00 0.00 179.25 181.08 1cih h THR 8 N 1.10 0.49 -0.16 0.00 1.35 -1.45 -2.14 112.91 112.10 1cih h THR 8 Ca 0.31 -1.72 -0.17 0.00 -0.55 0.00 0.00 66.41 64.28 1cih h THR 8 Cb -0.09 2.17 0.01 0.00 -1.73 0.00 0.00 68.15 68.51 1cih h THR 8 CO -0.07 0.28 -0.56 -0.07 -0.25 0.00 0.00 175.52 174.84 1cih h LEU 9 N 0.00 0.77 -0.38 3.87 3.38 -1.00 -2.39 115.31 119.57 1cih h LEU 9 Ca -0.02 -0.61 0.05 0.00 0.09 0.00 0.00 57.88 57.39 1cih h LEU 9 Cb 1.26 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 1cih h LEU 9 CO 0.04 1.24 0.11 0.15 0.09 0.00 0.00 178.44 180.07 1cih h PHE 10 N 0.34 0.18 -0.64 1.13 3.04 -0.99 0.24 116.94 120.24 1cih h PHE 10 Ca -0.03 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1cih h PHE 10 Cb 1.19 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.64 1cih h PHE 10 CO 0.10 0.06 0.38 0.87 -2.02 0.00 0.00 178.31 177.70 1cih h LYS 11 N 0.24 0.87 0.00 1.11 1.57 -1.36 0.39 116.57 119.40 1cih h LYS 11 Ca 0.18 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1cih h LYS 11 Cb 0.18 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1cih h LYS 11 CO -0.20 0.62 -0.46 1.79 -0.57 0.00 0.00 179.45 180.63 1cih h THR 12 N 0.86 0.00 0.00 -0.16 1.35 -1.00 -3.34 112.91 110.63 1cih h THR 12 Ca 0.23 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1cih h THR 12 Cb -0.02 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1cih h THR 12 CO -0.04 0.00 -0.38 0.54 -0.25 0.00 0.00 175.52 175.39 1cih n ARG 13 N -2.89 3.76 0.00 4.72 5.12 0.80 -4.91 116.66 123.26 1cih n ARG 13 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1cih n ARG 13 Cb 0.54 -0.65 0.00 0.00 -1.16 0.00 0.00 32.46 31.19 1cih n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cih h LEU 15 N 0.00 0.00 -0.97 0.00 5.85 -0.95 0.59 115.31 119.82 1cih h LEU 15 Ca 0.00 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 1cih h LEU 15 Cb 0.67 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.60 1cih h LEU 15 CO 0.00 0.00 0.58 -0.61 -0.34 0.00 0.00 178.44 178.07 1cih h GLN 16 N 0.00 0.77 -0.00 1.25 4.15 -1.85 -3.17 115.11 116.27 1cih h GLN 16 Ca 0.25 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.63 1cih h GLN 16 Cb 1.02 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1cih h GLN 16 CO -0.00 0.51 -0.12 0.00 -1.93 0.00 0.00 178.83 177.29 1cih s HIS 18 N -1.02 0.37 0.22 0.00 3.76 0.02 -0.87 115.29 117.77 1cih s HIS 18 Ca 0.03 -0.78 0.10 0.00 -0.15 0.00 0.00 55.06 54.26 1cih s HIS 18 Cb 0.03 -0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.40 1cih s HIS 18 CO 0.13 -0.31 -0.12 0.95 -0.85 0.00 0.00 174.74 174.53 1cih s THR 19 N -2.83 2.95 0.00 1.30 -4.23 -1.26 -4.33 115.64 107.24 1cih s THR 19 Ca -0.03 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1cih s THR 19 Cb 0.00 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1cih s THR 19 CO -0.06 -0.23 0.00 0.55 -0.54 0.00 0.00 174.62 174.34 1cih n VAL 20 N -0.25 0.00 -1.64 2.29 3.14 -1.26 -0.57 118.33 120.04 1cih n VAL 20 Ca -0.09 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 60.95 1cih n VAL 20 Cb 0.57 0.02 0.07 0.00 -1.06 0.00 0.00 33.84 33.44 1cih n VAL 20 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1cih s GLU 21 N -1.66 2.50 0.10 1.45 1.03 -1.26 -2.88 118.70 117.98 1cih s GLU 21 Ca 0.00 1.62 -0.31 0.00 0.03 0.00 0.00 54.97 56.31 1cih s GLU 21 Cb 0.00 -1.89 -0.08 0.00 -0.80 0.00 0.00 34.13 31.36 1cih s GLU 21 CO 0.00 -1.53 1.41 0.21 -1.33 0.00 0.00 175.26 174.02 1cih s LYS 22 N -3.90 4.31 0.00 -4.83 2.20 -1.26 -2.03 119.74 114.23 1cih s LYS 22 Ca 0.72 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 58.41 1cih s LYS 22 Cb -0.26 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1cih s LYS 22 CO 0.42 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 1cih n GLY 23 N 3.54 0.75 3.78 5.54 0.00 -1.26 -5.03 105.19 112.51 1cih n GLY 23 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1cih n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cih s GLY 24 N -1.79 2.81 0.58 -0.02 0.00 -0.86 -5.04 107.32 103.00 1cih s GLY 24 Ca 0.00 0.56 -0.12 0.00 0.00 0.00 0.00 44.72 45.16 1cih s GLY 24 CO 0.00 1.01 0.99 2.56 0.00 0.00 0.00 173.10 177.66 1cih s PRO 25 N -2.07 3.69 0.36 2.90 0.04 -1.26 -4.76 135.00 133.91 1cih s PRO 25 Ca 0.51 0.76 -0.26 0.00 0.04 0.00 0.00 61.00 62.05 1cih s PRO 25 Cb -0.20 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1cih s PRO 25 CO 0.25 -0.45 1.06 -1.01 0.04 0.00 0.00 177.00 176.88 1cih s HIS 26 N -2.98 3.37 0.00 0.56 3.76 -1.26 -4.14 115.29 114.59 1cih s HIS 26 Ca 0.55 1.67 0.00 0.00 -0.15 0.00 0.00 55.06 57.13 1cih s HIS 26 Cb -0.11 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.43 1cih s HIS 26 CO 0.47 -0.56 0.00 1.63 -0.85 0.00 0.00 174.74 175.43 1cih n LYS 27 N 0.29 1.25 -0.31 1.40 5.02 -1.26 -4.94 118.16 119.61 1cih n LYS 27 Ca 0.03 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.35 1cih n LYS 27 Cb 0.48 0.00 0.17 0.00 -0.02 0.00 0.00 35.03 35.66 1cih n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1cih h VAL 28 N 0.00 0.96 -1.91 -0.18 2.07 -1.85 -3.42 116.25 111.92 1cih h VAL 28 Ca 0.00 -0.31 -0.53 0.00 0.82 0.00 0.00 66.70 66.68 1cih h VAL 28 Cb 0.00 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 29.69 1cih h VAL 28 CO 0.00 0.16 -0.52 -0.83 0.02 0.00 0.00 177.57 176.41 1cih s GLY 29 N -3.27 1.84 0.63 2.17 0.00 -0.05 -5.07 107.32 103.57 1cih s GLY 29 Ca -0.12 -1.74 -0.14 0.00 0.00 0.00 0.00 44.72 42.72 1cih s GLY 29 CO 0.79 -1.68 1.06 2.56 0.00 0.00 0.00 173.10 175.83 1cih s PRO 30 N -3.88 3.17 0.42 2.90 0.04 -1.26 -4.66 135.00 131.72 1cih s PRO 30 Ca 0.38 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 62.26 1cih s PRO 30 Cb -0.04 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1cih s PRO 30 CO 0.24 -0.93 1.37 1.21 0.04 0.00 0.00 177.00 178.93 1cih s ASN 31 N -3.20 6.14 0.00 6.66 3.84 -1.26 -4.36 114.94 122.76 1cih s ASN 31 Ca 0.61 2.80 0.18 0.00 0.21 0.00 0.00 52.86 56.66 1cih s ASN 31 Cb -0.15 -2.65 0.31 0.00 -0.55 0.00 0.00 41.25 38.22 1cih s ASN 31 CO 0.44 -0.98 1.24 0.18 -2.79 0.00 0.00 177.10 175.19 1cih n LEU 32 N 0.04 3.00 -4.69 3.21 4.77 0.26 -4.96 117.00 118.63 1cih n LEU 32 Ca 0.04 -1.47 -0.44 0.00 -0.03 0.00 0.00 56.01 54.11 1cih n LEU 32 Cb 0.42 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1cih n LEU 32 CO 0.58 0.65 1.10 1.57 -1.33 0.00 0.00 177.39 179.96 1cih n HIS 33 N 1.10 2.36 -1.72 -1.77 -0.00 -1.14 -1.99 115.22 112.05 1cih n HIS 33 Ca 0.15 0.36 -0.14 0.00 0.46 0.00 0.00 57.72 58.54 1cih n HIS 33 Cb 0.50 -2.51 -0.04 0.00 -0.12 0.00 0.00 29.99 27.82 1cih n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1cih n GLY 34 N 2.37 0.85 0.17 1.57 0.00 0.12 -4.94 105.19 105.34 1cih n GLY 34 Ca 0.12 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.82 1cih n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cih h ILE 35 N 0.00 1.24 -3.08 -0.61 6.09 -1.62 -3.41 117.51 116.12 1cih h ILE 35 Ca -0.30 -1.55 -0.53 0.00 -1.37 0.00 0.00 64.86 61.11 1cih h ILE 35 Cb 1.03 1.85 0.01 0.00 0.47 0.00 0.00 36.82 40.19 1cih h ILE 35 CO 0.41 0.43 0.66 -0.36 -3.07 0.00 0.00 178.15 176.22 1cih s PHE 36 N -3.93 3.30 0.00 2.19 0.08 -1.26 -2.09 117.98 116.28 1cih s PHE 36 Ca -0.02 1.11 0.00 0.00 0.12 0.00 0.00 56.93 58.14 1cih s PHE 36 Cb 0.13 -3.55 0.00 0.00 -0.57 0.00 0.00 43.02 39.03 1cih s PHE 36 CO 0.73 -1.85 0.00 0.41 -0.10 0.00 0.00 175.22 174.41 1cih n GLY 37 N 3.37 3.28 3.88 4.36 0.00 0.50 -5.01 105.19 115.58 1cih n GLY 37 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1cih n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cih s ALA 38 N -2.40 3.14 0.34 4.61 0.00 -0.89 -4.63 121.76 121.93 1cih s ALA 38 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 1cih s ALA 38 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1cih s ALA 38 CO 0.00 -0.73 0.59 -1.01 0.00 0.00 0.00 175.76 174.61 1cih s HIS 39 N -3.11 3.50 0.49 0.00 0.09 -1.26 -0.80 115.29 114.21 1cih s HIS 39 Ca 0.54 0.56 -0.23 0.00 -0.00 0.00 0.00 55.06 55.93 1cih s HIS 39 Cb -0.11 -2.05 -0.06 0.00 -0.00 0.00 0.00 32.58 30.35 1cih s HIS 39 CO 0.51 0.08 1.25 -1.54 -0.00 0.00 0.00 174.74 175.04 1cih s SER 40 N -3.66 5.80 -0.95 1.40 1.04 0.07 -4.04 113.70 113.35 1cih s SER 40 Ca 0.43 2.51 -0.04 0.00 0.48 0.00 0.00 55.95 59.33 1cih s SER 40 Cb -0.10 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1cih s SER 40 CO 0.35 -1.19 0.82 0.61 0.98 0.00 0.00 173.24 174.81 1cih n GLY 41 N 0.57 -0.14 0.00 7.32 0.00 -1.26 -4.59 105.19 107.09 1cih n GLY 41 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1cih n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cih n GLN 42 N -3.62 -0.17 -2.13 1.61 1.13 -1.26 -4.85 117.38 108.09 1cih n GLN 42 Ca -0.06 -0.51 -0.41 0.00 -1.94 0.00 0.00 57.00 54.08 1cih n GLN 42 Cb 0.57 -0.85 -0.02 0.00 0.11 0.00 0.00 30.24 30.05 1cih n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cih s ALA 43 N -0.13 3.54 0.37 -1.58 0.00 -1.26 -4.95 121.76 117.74 1cih s ALA 43 Ca 0.00 1.23 -0.25 0.00 0.00 0.00 0.00 51.96 52.94 1cih s ALA 43 Cb 0.00 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 1cih s ALA 43 CO 0.00 -0.62 0.98 -1.83 0.00 0.00 0.00 175.76 174.28 1cih s GLU 44 N -0.88 4.39 -0.19 0.00 -1.05 -1.26 -3.49 118.70 116.22 1cih s GLU 44 Ca 0.54 1.35 0.00 0.00 -0.15 0.00 0.00 54.97 56.71 1cih s GLU 44 Cb -0.39 -2.61 0.00 0.00 -0.44 0.00 0.00 34.13 30.69 1cih s GLU 44 CO 0.45 0.10 0.00 0.41 0.95 0.00 0.00 175.26 177.17 1cih n GLY 45 N 0.28 0.53 3.35 -3.83 0.00 -1.26 -5.03 105.19 99.22 1cih n GLY 45 Ca 0.04 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 1cih n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cih s TYR 46 N -2.05 2.52 -0.69 1.61 5.04 -1.23 -5.03 117.35 117.52 1cih s TYR 46 Ca 0.00 -0.48 -0.17 0.00 -2.44 0.00 0.00 57.07 53.98 1cih s TYR 46 Cb 0.00 -1.60 0.14 0.00 0.35 0.00 0.00 41.96 40.85 1cih s TYR 46 CO 0.00 -0.05 0.75 0.45 -1.34 0.00 0.00 175.55 175.36 1cih s SER 47 N -0.40 6.39 0.57 4.32 0.15 -1.26 -4.96 113.70 118.52 1cih s SER 47 Ca 0.04 -1.88 -0.05 0.00 0.70 0.00 0.00 55.95 54.76 1cih s SER 47 Cb -0.12 -2.28 0.01 0.00 -1.71 0.00 0.00 66.02 61.92 1cih s SER 47 CO 0.02 -0.94 0.87 -0.31 1.20 0.00 0.00 173.24 174.08 1cih s TYR 48 N 1.92 3.25 0.69 3.44 2.02 -1.26 -5.07 117.35 122.35 1cih s TYR 48 Ca 0.15 0.60 -0.11 0.00 -0.37 0.00 0.00 57.07 57.34 1cih s TYR 48 Cb -0.19 -2.69 0.01 0.00 -0.40 0.00 0.00 41.96 38.70 1cih s TYR 48 CO -0.00 -0.77 1.06 0.95 -1.57 0.00 0.00 175.55 175.23 1cih s THR 49 N -2.94 3.95 0.24 -0.71 -4.23 -1.26 -4.93 115.64 105.76 1cih s THR 49 Ca 0.53 0.65 -0.07 0.00 -1.18 0.00 0.00 61.69 61.63 1cih s THR 49 Cb -0.10 -3.35 0.24 0.00 1.34 0.00 0.00 72.50 70.62 1cih s THR 49 CO 0.44 -0.81 1.91 0.44 -0.54 0.00 0.00 174.62 176.06 1cih h ASP 50 N -0.67 1.13 -0.42 3.99 3.32 -1.98 -3.04 116.42 118.75 1cih h ASP 50 Ca -0.44 -0.05 0.08 0.00 0.02 0.00 0.00 57.03 56.64 1cih h ASP 50 Cb 1.21 -0.29 -0.07 0.00 0.22 0.00 0.00 39.33 40.41 1cih h ASP 50 CO 0.56 0.85 0.02 0.00 -1.72 0.00 0.00 179.24 178.95 1cih h ALA 51 N 1.34 0.41 -0.05 3.45 0.00 -1.88 -1.91 119.26 120.61 1cih h ALA 51 Ca 0.35 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.24 1cih h ALA 51 Cb -0.10 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1cih h ALA 51 CO -0.07 -0.37 -0.57 0.97 0.00 0.00 0.00 179.25 179.21 1cih h ILE 52 N 0.13 1.39 -0.24 0.00 2.10 -1.86 -1.84 117.51 117.19 1cih h ILE 52 Ca 0.21 -1.91 -0.16 0.00 1.08 0.00 0.00 64.86 64.07 1cih h ILE 52 Cb 0.29 1.98 0.00 0.00 -1.09 0.00 0.00 36.82 38.01 1cih h ILE 52 CO -0.33 0.56 -0.48 0.40 -1.08 0.00 0.00 178.15 177.22 1cih h ILE 53 N 0.11 1.30 0.00 2.19 2.04 -1.41 -3.21 117.51 118.54 1cih h ILE 53 Ca -0.00 -1.69 -0.13 0.00 1.00 0.00 0.00 64.86 64.04 1cih h ILE 53 Cb 1.03 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 1cih h ILE 53 CO 0.08 0.54 -0.61 0.11 0.00 0.00 0.00 178.15 178.27 1cih h LYS 54 N 0.48 0.00 -0.13 2.37 1.79 -1.33 -3.06 116.57 116.68 1cih h LYS 54 Ca 0.01 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 1cih h LYS 54 Cb 1.09 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 1cih h LYS 54 CO 0.11 0.61 -0.22 -0.22 -1.08 0.00 0.00 179.45 178.65 1cih h LYS 55 N 0.00 0.23 -6.91 3.15 1.63 -1.37 -3.47 116.57 109.83 1cih h LYS 55 Ca -0.01 -0.07 -0.59 0.00 -0.85 0.00 0.00 60.65 59.14 1cih h LYS 55 Cb 1.27 -0.02 -0.10 0.00 -0.60 0.00 0.00 32.23 32.78 1cih h LYS 55 CO 0.08 0.45 -0.98 -1.71 -3.45 0.00 0.00 179.45 173.84 1cih n ASN 56 N -4.19 -1.56 -4.77 4.20 4.05 -1.16 -4.90 115.26 106.93 1cih n ASN 56 Ca -0.01 -1.24 -0.38 0.00 0.45 0.00 0.00 54.58 53.40 1cih n ASN 56 Cb 0.34 -1.89 -0.01 0.00 1.23 0.00 0.00 39.78 39.44 1cih n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1cih s VAL 57 N -3.95 3.01 -0.34 3.44 1.01 -1.26 -4.73 120.40 117.58 1cih s VAL 57 Ca 0.22 0.82 -0.11 0.00 0.00 0.00 0.00 61.98 62.92 1cih s VAL 57 Cb -0.12 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1cih s VAL 57 CO 0.97 0.05 0.19 -0.22 0.00 0.00 0.00 175.10 176.10 1cih s LEU 58 N -2.69 4.42 -0.42 3.92 1.98 -1.26 -0.75 118.68 123.89 1cih s LEU 58 Ca 0.60 -0.68 -0.28 0.00 -2.89 0.00 0.00 54.13 50.88 1cih s LEU 58 Cb -0.32 -2.04 -0.01 0.00 0.66 0.00 0.00 46.19 44.49 1cih s LEU 58 CO 0.39 -0.28 1.65 0.26 -1.89 0.00 0.00 176.35 176.49 1cih s TRP 59 N 1.62 2.01 0.16 5.38 0.23 0.02 -4.82 118.94 123.54 1cih s TRP 59 Ca 0.04 0.65 0.07 0.00 -2.03 0.00 0.00 56.10 54.82 1cih s TRP 59 Cb -0.18 -4.21 -0.04 0.00 0.03 0.00 0.00 33.47 29.07 1cih s TRP 59 CO 0.07 -2.47 -0.14 0.16 0.96 0.00 0.00 176.95 175.53 1cih s ASP 60 N 5.55 2.23 0.47 2.95 1.47 -1.26 0.19 116.67 128.27 1cih s ASP 60 Ca 0.70 -0.91 0.29 0.00 1.18 0.00 0.00 52.55 53.80 1cih s ASP 60 Cb -0.17 -0.09 1.36 0.00 -0.34 0.00 0.00 42.92 43.67 1cih s ASP 60 CO 0.31 -0.17 1.77 1.05 0.68 0.00 0.00 175.17 178.81 1cih h GLU 61 N 3.07 0.17 -0.27 2.11 4.11 -1.98 -0.52 114.58 121.26 1cih h GLU 61 Ca -0.39 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 58.91 1cih h GLU 61 Cb 1.20 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1cih h GLU 61 CO 0.56 0.11 -0.28 -0.91 0.07 0.00 0.00 179.01 178.56 1cih h ASN 62 N 0.17 0.72 -0.04 3.06 4.21 -1.96 -2.66 115.58 119.07 1cih h ASN 62 Ca 0.60 -0.47 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 1cih h ASN 62 Cb 1.99 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 38.99 1cih h ASN 62 CO -0.16 1.05 -0.02 -1.13 -1.29 0.00 0.00 177.43 175.88 1cih h ASN 63 N 0.41 0.09 -0.73 5.81 -0.73 -1.55 -3.12 115.58 115.76 1cih h ASN 63 Ca 0.04 -0.40 0.08 0.00 1.87 0.00 0.00 56.30 57.89 1cih h ASN 63 Cb 0.85 -0.03 -0.05 0.00 0.27 0.00 0.00 38.32 39.36 1cih h ASN 63 CO 0.07 0.48 0.48 -0.03 -0.37 0.00 0.00 177.43 178.05 1cih h MET 64 N -0.29 0.67 -0.35 6.67 4.05 -1.24 -0.71 114.93 123.74 1cih h MET 64 Ca 0.01 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.35 1cih h MET 64 Cb 0.44 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 1cih h MET 64 CO 0.01 0.45 0.06 1.03 0.23 0.00 0.00 176.91 178.68 1cih h SER 65 N 0.70 0.56 -0.54 1.39 0.87 -1.41 -1.53 113.55 113.59 1cih h SER 65 Ca 0.32 -0.26 -0.10 0.00 -1.23 0.00 0.00 61.79 60.53 1cih h SER 65 Cb 0.36 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1cih h SER 65 CO -0.11 0.68 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.48 1cih h GLU 66 N 0.42 0.99 0.04 2.24 4.39 -1.47 -2.38 114.58 118.81 1cih h GLU 66 Ca 0.11 -0.34 0.02 0.00 0.34 0.00 0.00 59.36 59.48 1cih h GLU 66 Cb 0.35 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1cih h GLU 66 CO 0.01 1.02 -0.14 -0.92 -1.16 0.00 0.00 179.01 177.82 1cih h TYR 67 N 0.86 -0.35 0.00 4.33 3.20 -0.94 -2.72 116.97 121.35 1cih h TYR 67 Ca 0.15 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1cih h TYR 67 Cb 0.61 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 1cih h TYR 67 CO 0.04 -0.20 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.21 1cih h LEU 68 N -0.25 0.00 -1.02 2.82 3.38 -1.20 0.59 115.31 119.62 1cih h LEU 68 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1cih h LEU 68 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1cih h LEU 68 CO -0.10 0.08 0.56 0.74 0.09 0.00 0.00 178.44 179.81 1cih h THR 69 N 0.00 1.25 -0.54 0.22 2.02 -1.10 -0.46 112.91 114.30 1cih h THR 69 Ca -0.00 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1cih h THR 69 Cb 0.15 -0.05 -0.17 0.00 -1.74 0.00 0.00 68.15 66.35 1cih h THR 69 CO 0.01 0.26 -0.26 0.21 0.37 0.00 0.00 175.52 176.10 1cih s ASN 70 N -6.22 -0.81 0.00 4.18 3.84 -1.08 -3.91 114.94 110.93 1cih s ASN 70 Ca -0.12 -0.61 0.00 0.00 0.21 0.00 0.00 52.86 52.34 1cih s ASN 70 Cb 0.17 1.05 0.00 0.00 -0.55 0.00 0.00 41.25 41.92 1cih s ASN 70 CO 0.82 -0.07 0.00 -2.65 -2.79 0.00 0.00 177.10 172.41 1cih n PRO 71 N 3.54 0.00 0.00 0.43 -0.02 0.18 -1.50 135.00 137.63 1cih n PRO 71 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1cih n PRO 71 Cb 0.61 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.17 1cih n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1cih n LYS 73 N -0.09 0.00 0.06 -0.52 3.00 -1.26 -1.25 118.16 118.10 1cih n LYS 73 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1cih n LYS 73 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 1cih n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1cih h TYR 74 N 0.00 0.56 -2.58 5.64 3.20 -1.59 -3.40 116.97 118.80 1cih h TYR 74 Ca 0.00 -0.27 -0.59 0.00 3.14 0.00 0.00 58.73 61.01 1cih h TYR 74 Cb 0.00 -0.08 -0.39 0.00 1.54 0.00 0.00 36.73 37.80 1cih h TYR 74 CO 0.00 1.06 -0.87 0.42 -1.64 0.00 0.00 178.16 177.13 1cih s ILE 75 N -3.46 0.49 0.20 1.81 1.01 -0.38 -5.08 121.20 115.79 1cih s ILE 75 Ca -0.06 -2.24 -0.31 0.00 0.00 0.00 0.00 60.65 58.04 1cih s ILE 75 Cb 0.10 -1.35 -0.11 0.00 0.01 0.00 0.00 42.46 41.11 1cih s ILE 75 CO 0.85 -1.06 1.61 -2.84 0.00 0.00 0.00 174.94 173.50 1cih s PRO 76 N 0.53 4.18 0.00 2.79 0.02 -1.26 -1.28 135.00 139.97 1cih s PRO 76 Ca 0.23 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.72 1cih s PRO 76 Cb -0.13 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1cih s PRO 76 CO -0.07 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 1cih n GLY 77 N 3.47 1.51 3.75 0.52 0.00 -1.26 -4.85 105.19 108.33 1cih n GLY 77 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1cih n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cih s THR 78 N -2.29 2.38 -2.33 2.61 -1.32 -0.41 -4.75 115.64 109.53 1cih s THR 78 Ca 0.00 0.28 0.21 0.00 -1.21 0.00 0.00 61.69 60.96 1cih s THR 78 Cb 0.00 -3.14 0.44 0.00 -1.51 0.00 0.00 72.50 68.29 1cih s THR 78 CO 0.00 -0.01 1.47 2.29 -2.21 0.00 0.00 174.62 176.15 1cih n LYS 79 N -1.00 2.06 -2.27 7.08 2.85 -1.26 -4.86 118.16 120.76 1cih n LYS 79 Ca 0.10 -1.61 -0.43 0.00 -1.05 0.00 0.00 58.31 55.33 1cih n LYS 79 Cb 0.46 -1.43 -0.02 0.00 -0.65 0.00 0.00 35.03 33.39 1cih n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1cih s MET 80 N -1.64 3.85 -1.00 -1.58 1.75 -1.26 -4.88 119.30 114.54 1cih s MET 80 Ca 0.34 1.45 -0.02 0.00 -1.25 0.00 0.00 55.69 56.21 1cih s MET 80 Cb 0.19 -3.96 0.28 0.00 2.84 0.00 0.00 34.83 34.19 1cih s MET 80 CO 0.28 -1.21 2.01 0.00 -0.65 0.00 0.00 175.02 175.45 1cih n ALA 81 N 8.04 6.31 -2.84 4.11 0.00 -1.26 -4.88 120.51 129.98 1cih n ALA 81 Ca 0.17 -4.33 -0.33 0.00 0.00 0.00 0.00 53.44 48.94 1cih n ALA 81 Cb 0.46 -2.23 -0.13 0.00 0.00 0.00 0.00 19.45 17.55 1cih n ALA 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cih s SER 82 N -0.93 4.34 0.00 0.00 0.15 -1.26 -5.02 113.70 110.98 1cih s SER 82 Ca 0.45 -0.19 0.26 0.00 0.70 0.00 0.00 55.95 57.17 1cih s SER 82 Cb 0.25 -1.44 0.77 0.00 -1.71 0.00 0.00 66.02 63.89 1cih s SER 82 CO -0.19 0.24 1.58 0.61 1.20 0.00 0.00 173.24 176.68 1cih n GLY 83 N 3.05 0.35 0.00 9.45 0.00 -1.26 -4.56 105.19 112.22 1cih n GLY 83 Ca -0.18 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1cih n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cih n GLY 84 N 1.23 0.35 3.32 -0.02 0.00 -1.26 -4.73 105.19 104.07 1cih n GLY 84 Ca 0.17 -1.70 -0.46 0.00 0.00 0.00 0.00 46.02 44.03 1cih n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cih s LEU 85 N -1.48 6.48 0.29 0.99 1.43 -0.18 -4.96 118.68 121.25 1cih s LEU 85 Ca 0.00 -2.29 0.14 0.00 -1.03 0.00 0.00 54.13 50.94 1cih s LEU 85 Cb 0.00 -2.20 0.36 0.00 0.03 0.00 0.00 46.19 44.38 1cih s LEU 85 CO 0.00 -0.70 1.59 0.11 0.23 0.00 0.00 176.35 177.58 1cih h LYS 86 N 8.26 0.00 -5.83 1.70 1.79 -1.85 -3.35 116.57 117.29 1cih h LYS 86 Ca -0.07 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.82 1cih h LYS 86 Cb 1.07 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.64 1cih h LYS 86 CO 0.88 0.57 0.04 0.15 -1.08 0.00 0.00 179.45 180.01 1cih s LYS 87 N -3.40 4.33 0.28 3.15 1.02 -1.26 -4.97 119.74 118.89 1cih s LYS 87 Ca 0.00 0.68 -0.00 0.00 0.02 0.00 0.00 55.97 56.67 1cih s LYS 87 Cb 0.11 -3.49 0.49 0.00 -0.52 0.00 0.00 37.83 34.42 1cih s LYS 87 CO 0.74 -0.02 1.85 1.49 -0.92 0.00 0.00 175.35 178.49 1cih h GLU 88 N 7.00 1.04 -0.83 1.68 4.81 -2.00 -1.77 114.58 124.51 1cih h GLU 88 Ca -0.38 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.82 1cih h GLU 88 Cb 1.17 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.27 1cih h GLU 88 CO 0.76 0.69 0.54 1.57 -0.73 0.00 0.00 179.01 181.84 1cih h LYS 89 N 1.07 1.02 -0.44 1.92 2.10 -1.98 0.26 116.57 120.52 1cih h LYS 89 Ca 0.47 -0.06 -0.08 0.00 -2.00 0.00 0.00 60.65 58.98 1cih h LYS 89 Cb 0.36 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 1cih h LYS 89 CO -0.23 0.68 -0.05 -0.44 -2.00 0.00 0.00 179.45 177.41 1cih h ASP 90 N 1.05 0.80 -0.63 7.07 3.32 -1.76 -2.22 116.42 124.05 1cih h ASP 90 Ca 0.33 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1cih h ASP 90 Cb -0.01 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1cih h ASP 90 CO -0.11 0.95 0.31 0.03 -1.72 0.00 0.00 179.24 178.70 1cih h ARG 91 N 0.64 0.91 0.02 3.56 3.08 -0.74 0.82 114.38 122.66 1cih h ARG 91 Ca 0.12 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1cih h ARG 91 Cb 0.57 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1cih h ARG 91 CO 0.03 0.72 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.74 1cih h ASN 92 N 0.87 -0.02 0.09 7.04 2.35 -0.36 0.21 115.58 125.76 1cih h ASN 92 Ca 0.22 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1cih h ASN 92 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1cih h ASN 92 CO -0.03 0.00 -0.04 0.44 -1.65 0.00 0.00 177.43 176.15 1cih h ASP 93 N -0.04 -0.10 -0.06 5.81 3.32 -1.25 -0.70 116.42 123.40 1cih h ASP 93 Ca -0.00 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.07 1cih h ASP 93 Cb 0.03 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1cih h ASP 93 CO 0.00 -0.06 -0.10 0.25 -1.72 0.00 0.00 179.24 177.61 1cih h LEU 94 N -0.13 -0.31 -1.42 1.55 5.85 -0.54 -1.80 115.31 118.51 1cih h LEU 94 Ca -0.01 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1cih h LEU 94 Cb 0.10 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1cih h LEU 94 CO 0.02 -0.14 0.43 0.40 -0.34 0.00 0.00 178.44 178.80 1cih h ILE 95 N -0.15 1.08 -0.23 4.05 2.04 -0.87 -0.09 117.51 123.34 1cih h ILE 95 Ca 0.06 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1cih h ILE 95 Cb 0.23 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1cih h ILE 95 CO -0.15 0.14 0.15 0.74 0.00 0.00 0.00 178.15 179.02 1cih h THR 96 N 0.75 1.08 -0.12 -0.27 2.02 -0.45 0.20 112.91 116.11 1cih h THR 96 Ca 0.26 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1cih h THR 96 Cb 0.10 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1cih h THR 96 CO -0.07 0.07 0.06 0.22 0.37 0.00 0.00 175.52 176.17 1cih h TYR 97 N 0.30 0.16 -0.28 3.16 3.20 -0.50 -2.99 116.97 120.02 1cih h TYR 97 Ca 0.08 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1cih h TYR 97 Cb -0.01 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1cih h TYR 97 CO -0.05 0.18 0.11 1.25 -1.64 0.00 0.00 178.16 178.01 1cih h LEU 98 N 0.09 0.38 -0.84 2.82 5.85 -0.84 0.01 115.31 122.78 1cih h LEU 98 Ca 0.04 -0.16 0.21 0.00 0.84 0.00 0.00 57.88 58.81 1cih h LEU 98 Cb 0.07 -0.10 -0.13 0.00 0.37 0.00 0.00 40.66 40.87 1cih h LEU 98 CO -0.01 0.44 0.23 0.50 -0.34 0.00 0.00 178.44 179.27 1cih h LYS 99 N 0.30 0.24 -0.00 1.25 3.64 -0.57 -1.26 116.57 120.16 1cih h LYS 99 Ca 0.09 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1cih h LYS 99 Cb 0.18 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1cih h LYS 99 CO -0.01 0.16 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.06 1cih h LYS 100 N 0.24 0.04 0.00 1.90 3.64 -1.33 -3.35 116.57 117.71 1cih h LYS 100 Ca 0.51 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.80 1cih h LYS 100 Cb 0.99 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1cih h LYS 100 CO -0.61 0.80 -0.26 0.00 -2.27 0.00 0.00 179.45 177.11 1cih h ALA 101 N 0.24 0.85 -0.00 5.00 0.00 -0.77 -3.25 119.26 121.33 1cih h ALA 101 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1cih h ALA 101 Cb 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1cih h ALA 101 CO 0.01 0.33 -0.15 0.00 0.00 0.00 0.00 179.25 179.44 1cih n ALA 102 N -2.18 2.82 1.95 0.00 0.00 -0.50 -4.62 120.51 117.99 1cih n ALA 102 Ca 0.02 -0.26 0.16 0.00 0.00 0.00 0.00 53.44 53.36 1cih n ALA 102 Cb 0.60 -1.31 0.91 0.00 0.00 0.00 0.00 19.45 19.64 1cih n ALA 102 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59