#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agi s GLN 2 N 0.00 4.47 -0.87 0.00 0.74 -1.26 -4.90 119.66 117.85 1agi s GLN 2 Ca 0.00 1.34 -0.33 0.00 0.05 0.00 0.00 55.36 56.42 1agi s GLN 2 Cb 0.00 -3.51 -0.20 0.00 1.10 0.00 0.00 33.01 30.40 1agi s GLN 2 CO 0.00 -0.19 2.58 -3.47 -0.55 0.00 0.00 175.29 173.67 1agi n ASP 3 N 4.51 0.57 -0.23 6.67 2.03 -1.26 -4.70 116.55 124.15 1agi n ASP 3 Ca 0.07 0.20 0.04 0.00 0.52 0.00 0.00 54.79 55.62 1agi n ASP 3 Cb 0.50 -0.98 0.01 0.00 -0.72 0.00 0.00 41.12 39.93 1agi n ASP 3 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1agi n ASP 4 N 10.49 1.25 -0.20 1.67 2.03 -1.26 -4.82 116.55 125.72 1agi n ASP 4 Ca 0.61 -1.13 -0.07 0.00 0.52 0.00 0.00 54.79 54.73 1agi n ASP 4 Cb 0.07 0.34 -0.01 0.00 -0.72 0.00 0.00 41.12 40.79 1agi n ASP 4 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1agi h TYR 5 N 1.10 -1.06 -0.87 -0.67 3.20 -1.99 -1.35 116.97 115.33 1agi h TYR 5 Ca 0.00 0.07 0.10 0.00 3.14 0.00 0.00 58.73 62.04 1agi h TYR 5 Cb 0.29 0.55 -0.06 0.00 1.54 0.00 0.00 36.73 39.05 1agi h TYR 5 CO 0.00 -0.40 0.56 0.00 -1.64 0.00 0.00 178.16 176.68 1agi h ARG 6 N -0.20 0.81 -0.07 1.82 3.08 -1.97 0.52 114.38 118.38 1agi h ARG 6 Ca 0.21 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 1agi h ARG 6 Cb 0.56 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1agi h ARG 6 CO -0.67 0.54 -0.10 -0.92 -1.07 0.00 0.00 179.97 177.75 1agi h TYR 7 N 0.84 0.23 -0.45 3.04 3.20 -1.51 -0.55 116.97 121.77 1agi h TYR 7 Ca 0.40 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 1agi h TYR 7 Cb 0.43 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1agi h TYR 7 CO -0.00 0.67 0.13 0.82 -1.64 0.00 0.00 178.16 178.14 1agi h ILE 8 N -0.28 1.19 -0.50 1.81 1.08 -0.57 -1.25 117.51 118.99 1agi h ILE 8 Ca 0.01 -0.65 -0.11 0.00 -0.39 0.00 0.00 64.86 63.72 1agi h ILE 8 Cb 0.64 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 1agi h ILE 8 CO 0.02 0.24 -0.13 -0.74 -0.69 0.00 0.00 178.15 176.86 1agi h HIS 9 N 0.64 1.05 -0.55 1.37 2.76 0.14 -0.61 115.15 119.96 1agi h HIS 9 Ca 0.15 -0.22 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 1agi h HIS 9 Cb 0.21 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 1agi h HIS 9 CO 0.01 1.00 0.21 0.35 -1.30 0.00 0.00 177.93 178.20 1agi h PHE 10 N 0.84 0.86 -0.52 5.26 3.57 -0.34 -1.80 116.94 124.80 1agi h PHE 10 Ca 0.13 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 1agi h PHE 10 Cb 0.67 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1agi h PHE 10 CO 0.04 0.70 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.75 1agi h LEU 11 N 0.76 0.85 -0.67 0.59 3.38 -0.87 0.76 115.31 120.12 1agi h LEU 11 Ca 0.18 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1agi h LEU 11 Cb 0.22 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1agi h LEU 11 CO -0.01 0.91 0.11 0.74 0.09 0.00 0.00 178.44 180.28 1agi h THR 12 N 0.82 1.26 0.00 0.22 2.02 -0.83 -0.30 112.91 116.10 1agi h THR 12 Ca 0.15 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 1agi h THR 12 Cb 0.49 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1agi h THR 12 CO 0.02 0.39 -0.80 1.56 0.37 0.00 0.00 175.52 177.07 1agi h GLN 13 N 1.03 0.00 0.00 6.66 4.20 -1.18 -3.41 115.11 122.41 1agi h GLN 13 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1agi h GLN 13 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1agi h GLN 13 CO 0.01 0.03 0.00 0.72 -0.67 0.00 0.00 178.83 178.92 1agi n HIS 14 N -2.80 0.00 -4.72 2.96 8.25 0.25 -4.77 115.22 114.39 1agi n HIS 14 Ca 0.00 -0.15 -0.26 0.00 -0.26 0.00 0.00 57.72 57.05 1agi n HIS 14 Cb 0.57 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.50 1agi n HIS 14 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1agi s TYR 15 N -0.31 1.65 -0.26 4.41 5.04 -0.13 -0.08 117.35 127.68 1agi s TYR 15 Ca 0.00 -0.60 -0.02 0.00 -2.44 0.00 0.00 57.07 54.01 1agi s TYR 15 Cb 0.00 -1.17 0.11 0.00 0.35 0.00 0.00 41.96 41.25 1agi s TYR 15 CO 0.00 -0.28 0.24 0.34 -1.34 0.00 0.00 175.55 174.51 1agi s ASP 16 N 0.51 1.86 0.02 4.32 2.15 -0.57 -4.80 116.67 120.16 1agi s ASP 16 Ca -0.13 -0.64 -0.08 0.00 0.43 0.00 0.00 52.55 52.13 1agi s ASP 16 Cb -0.15 0.33 -0.03 0.00 -0.30 0.00 0.00 42.92 42.76 1agi s ASP 16 CO 0.04 -0.37 1.12 0.00 -0.17 0.00 0.00 175.17 175.79 1agi h ALA 17 N 8.30 -0.59 -3.30 3.66 0.00 -1.83 -3.36 119.26 122.15 1agi h ALA 17 Ca -0.16 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.10 1agi h ALA 17 Cb 1.09 0.61 -0.41 0.00 0.00 0.00 0.00 17.79 19.08 1agi h ALA 17 CO 0.33 -0.63 -0.63 0.15 0.00 0.00 0.00 179.25 178.47 1agi s LYS 18 N -3.61 2.01 0.53 0.00 1.02 -1.26 -2.09 119.74 116.34 1agi s LYS 18 Ca -0.04 -2.71 -0.13 0.00 0.02 0.00 0.00 55.97 53.11 1agi s LYS 18 Cb 0.01 -3.26 -0.06 0.00 -0.52 0.00 0.00 37.83 34.00 1agi s LYS 18 CO 0.14 -1.14 0.96 -1.25 -0.92 0.00 0.00 175.35 173.13 1agi s PRO 19 N -0.45 3.80 -0.05 -1.68 0.04 -1.26 -5.03 135.00 130.36 1agi s PRO 19 Ca 0.18 0.79 0.04 0.00 0.04 0.00 0.00 61.00 62.05 1agi s PRO 19 Cb -0.22 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 1agi s PRO 19 CO -0.03 -0.33 0.01 1.17 0.04 0.00 0.00 177.00 177.86 1agi n LYS 20 N -1.95 2.73 -0.13 4.56 3.00 -1.26 -4.89 118.16 120.22 1agi n LYS 20 Ca 0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.12 1agi n LYS 20 Cb 0.54 -1.13 -0.11 0.00 0.00 0.00 0.00 35.03 34.33 1agi n LYS 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1agi n GLY 21 N 2.75 -0.43 2.38 3.14 0.00 -1.26 -4.99 105.19 106.78 1agi n GLY 21 Ca -0.09 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1agi n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1agi n ARG 22 N -3.83 -1.97 -1.60 1.61 1.74 -1.26 -4.95 116.66 106.40 1agi n ARG 22 Ca -0.50 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1agi n ARG 22 Cb 0.93 -5.28 0.00 0.00 -1.02 0.00 0.00 32.46 27.09 1agi n ARG 22 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1agi n ASN 23 N -1.66 1.27 -0.32 0.55 0.23 -1.26 -4.66 115.26 109.42 1agi n ASN 23 Ca -0.17 -0.98 -0.01 0.00 -0.53 0.00 0.00 54.58 52.89 1agi n ASN 23 Cb 0.60 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.42 1agi n ASN 23 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1agi h ASP 24 N 0.00 0.93 -0.67 0.53 5.19 -1.89 -1.97 116.42 118.54 1agi h ASP 24 Ca 0.00 -0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.33 1agi h ASP 24 Cb 0.00 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.27 1agi h ASP 24 CO 0.00 0.64 0.14 -0.08 -3.12 0.00 0.00 179.24 176.82 1agi h GLU 25 N 1.09 1.09 -0.50 3.56 4.81 -1.96 -1.66 114.58 121.01 1agi h GLU 25 Ca 0.35 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1agi h GLU 25 Cb 0.01 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 1agi h GLU 25 CO -0.12 0.99 0.23 -0.92 -0.73 0.00 0.00 179.01 178.46 1agi h TYR 26 N 1.02 0.42 -0.36 0.92 3.20 -1.76 -1.65 116.97 118.75 1agi h TYR 26 Ca 0.21 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1agi h TYR 26 Cb 0.40 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1agi h TYR 26 CO 0.03 0.19 0.11 0.00 -1.64 0.00 0.00 178.16 176.85 1agi h PHE 28 N 0.43 0.18 -0.21 0.00 3.57 -0.87 0.13 116.94 120.17 1agi h PHE 28 Ca 0.12 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 1agi h PHE 28 Cb 0.26 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1agi h PHE 28 CO 0.01 0.04 -0.20 -0.91 -2.23 0.00 0.00 178.31 175.01 1agi h ASN 29 N 0.25 0.54 -0.33 0.41 -0.26 -1.23 -2.90 115.58 112.06 1agi h ASN 29 Ca 0.20 -0.47 -0.09 0.00 -0.56 0.00 0.00 56.30 55.37 1agi h ASN 29 Cb 0.24 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 1agi h ASN 29 CO -0.25 0.91 -0.12 0.24 -1.06 0.00 0.00 177.43 177.15 1agi h MET 30 N 0.19 0.77 -0.32 0.81 2.86 -0.80 0.79 114.93 119.23 1agi h MET 30 Ca 0.03 -0.26 -0.11 0.00 -2.06 0.00 0.00 59.70 57.31 1agi h MET 30 Cb 0.75 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1agi h MET 30 CO 0.05 0.86 -0.26 0.52 1.06 0.00 0.00 176.91 179.14 1agi h MET 31 N 0.69 0.63 -0.07 1.72 2.86 -0.79 -1.05 114.93 118.93 1agi h MET 31 Ca 0.12 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1agi h MET 31 Cb 0.60 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1agi h MET 31 CO 0.04 0.83 -0.07 -0.22 1.06 0.00 0.00 176.91 178.55 1agi h LYS 32 N 0.55 0.16 -0.68 1.72 3.64 -1.27 -0.80 116.57 119.90 1agi h LYS 32 Ca 0.07 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1agi h LYS 32 Cb 0.73 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1agi h LYS 32 CO 0.06 0.61 0.41 -0.91 -2.27 0.00 0.00 179.45 177.34 1agi h ASN 33 N -0.27 0.82 -0.11 4.20 2.35 -0.75 -2.10 115.58 119.72 1agi h ASN 33 Ca 0.01 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1agi h ASN 33 Cb 0.58 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1agi h ASN 33 CO 0.02 0.64 0.00 0.54 -1.65 0.00 0.00 177.43 176.97 1agi n ARG 34 N -4.56 1.30 -3.45 0.81 5.12 -0.41 -4.94 116.66 110.54 1agi n ARG 34 Ca 0.06 -0.47 -0.18 0.00 -1.93 0.00 0.00 57.85 55.33 1agi n ARG 34 Cb 0.06 -1.20 0.07 0.00 -1.16 0.00 0.00 32.46 30.23 1agi n ARG 34 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1agi n ARG 35 N -0.21 -5.32 -0.66 5.56 5.12 -0.79 -4.85 116.66 115.52 1agi n ARG 35 Ca 0.09 0.80 0.05 0.00 -1.93 0.00 0.00 57.85 56.86 1agi n ARG 35 Cb 0.14 -5.69 0.20 0.00 -1.16 0.00 0.00 32.46 25.95 1agi n ARG 35 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1agi n LEU 36 N -3.98 2.81 -0.20 0.55 4.77 -0.33 -4.70 117.00 115.92 1agi n LEU 36 Ca -0.24 -3.94 0.03 0.00 -0.03 0.00 0.00 56.01 51.82 1agi n LEU 36 Cb 0.66 -0.52 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1agi n LEU 36 CO 0.62 1.44 0.32 0.35 -1.33 0.00 0.00 177.39 178.79 1agi n THR 37 N -1.10 0.00 -3.73 -5.08 -2.24 -1.26 -1.90 114.28 98.96 1agi n THR 37 Ca 0.20 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 61.19 1agi n THR 37 Cb 0.70 1.11 -0.13 0.00 -2.10 0.00 0.00 70.33 69.91 1agi n THR 37 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1agi s ARG 38 N -0.49 1.35 0.73 -0.78 3.00 -1.26 -2.09 118.95 119.41 1agi s ARG 38 Ca 0.06 -2.06 -0.10 0.00 0.00 0.00 0.00 55.73 53.63 1agi s ARG 38 Cb 0.04 -2.42 0.05 0.00 0.00 0.00 0.00 34.95 32.62 1agi s ARG 38 CO 0.07 -1.16 1.08 -1.25 0.00 0.00 0.00 175.30 174.05 1agi s PRO 39 N 0.29 2.42 -0.04 3.54 0.04 -1.26 -5.06 135.00 134.93 1agi s PRO 39 Ca 0.18 0.13 -0.34 0.00 0.04 0.00 0.00 61.00 61.01 1agi s PRO 39 Cb -0.24 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 32.12 1agi s PRO 39 CO 0.00 -1.22 1.84 0.00 0.04 0.00 0.00 177.00 177.65 1agi s LYS 41 N 3.54 4.55 0.28 0.00 2.20 -0.80 -4.94 119.74 124.58 1agi s LYS 41 Ca 0.90 1.77 0.01 0.00 -0.36 0.00 0.00 55.97 58.28 1agi s LYS 41 Cb -0.67 -3.28 0.42 0.00 -1.51 0.00 0.00 37.83 32.79 1agi s LYS 41 CO 0.49 -0.01 1.78 0.22 -0.36 0.00 0.00 175.35 177.46 1agi h ASP 42 N 5.34 0.62 -3.77 1.43 3.58 -1.91 -3.40 116.42 118.31 1agi h ASP 42 Ca -0.44 -0.16 -0.06 0.00 0.42 0.00 0.00 57.03 56.79 1agi h ASP 42 Cb 1.21 -0.17 -0.22 0.00 1.72 0.00 0.00 39.33 41.88 1agi h ASP 42 CO 0.74 0.74 -0.02 -0.60 -2.88 0.00 0.00 179.24 177.22 1agi s ARG 43 N -4.85 0.69 -0.18 0.28 3.52 -1.26 -0.53 118.95 116.62 1agi s ARG 43 Ca -0.08 0.90 -0.11 0.00 -0.13 0.00 0.00 55.73 56.31 1agi s ARG 43 Cb 0.15 0.29 0.06 0.00 -1.56 0.00 0.00 34.95 33.89 1agi s ARG 43 CO 0.79 -0.10 0.43 1.21 -0.81 0.00 0.00 175.30 176.83 1agi s ASN 44 N 0.59 -0.54 -0.18 -2.12 2.47 -0.29 -5.00 114.94 109.87 1agi s ASN 44 Ca -0.02 0.93 -0.06 0.00 0.42 0.00 0.00 52.86 54.13 1agi s ASN 44 Cb -0.05 0.84 -0.04 0.00 -1.45 0.00 0.00 41.25 40.55 1agi s ASN 44 CO -0.03 -0.19 0.04 -0.89 -3.72 0.00 0.00 177.10 172.31 1agi s THR 45 N 1.22 4.48 -0.18 -5.21 2.01 -1.26 -0.96 115.64 115.73 1agi s THR 45 Ca -0.08 -0.14 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 1agi s THR 45 Cb -0.07 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 1agi s THR 45 CO -0.11 0.45 0.07 -0.36 -0.69 0.00 0.00 174.62 173.98 1agi s PHE 46 N 0.52 3.27 -0.08 4.92 0.08 -0.07 -4.52 117.98 122.09 1agi s PHE 46 Ca 0.01 0.10 -0.09 0.00 0.12 0.00 0.00 56.93 57.07 1agi s PHE 46 Cb -0.13 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.18 1agi s PHE 46 CO 0.01 0.17 0.22 0.42 -0.10 0.00 0.00 175.22 175.95 1agi s ILE 47 N 0.38 5.36 0.41 0.64 1.01 0.89 -1.03 121.20 128.86 1agi s ILE 47 Ca 0.04 0.40 0.07 0.00 0.00 0.00 0.00 60.65 61.16 1agi s ILE 47 Cb -0.12 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 1agi s ILE 47 CO -0.00 0.60 0.10 -1.00 0.00 0.00 0.00 174.94 174.64 1agi s HIS 48 N -1.05 2.57 0.00 3.97 3.76 0.01 -1.51 115.29 123.04 1agi s HIS 48 Ca 0.18 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 1agi s HIS 48 Cb -0.13 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.69 1agi s HIS 48 CO 0.07 0.31 0.00 0.41 -0.85 0.00 0.00 174.74 174.68 1agi n GLY 49 N -1.11 0.62 3.60 -2.22 0.00 -0.89 -4.39 105.19 100.80 1agi n GLY 49 Ca -0.03 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1agi n GLY 49 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1agi s ASN 50 N -4.00 6.63 0.30 1.61 3.84 -1.26 -4.66 114.94 117.40 1agi s ASN 50 Ca 0.00 0.54 -0.02 0.00 0.21 0.00 0.00 52.86 53.59 1agi s ASN 50 Cb 0.00 -2.42 0.45 0.00 -0.55 0.00 0.00 41.25 38.73 1agi s ASN 50 CO 0.00 -0.71 1.96 0.50 -2.79 0.00 0.00 177.10 176.06 1agi h LYS 51 N 8.32 1.06 -0.52 0.43 3.64 -1.99 -2.21 116.57 125.30 1agi h LYS 51 Ca -0.24 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1agi h LYS 51 Cb 1.09 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 1agi h LYS 51 CO 0.92 0.72 0.19 -0.91 -2.27 0.00 0.00 179.45 178.10 1agi h ASN 52 N 1.09 0.69 1.47 4.20 2.35 -1.99 -1.83 115.58 121.56 1agi h ASN 52 Ca 0.29 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1agi h ASN 52 Cb -0.10 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.09 1agi h ASN 52 CO -0.06 0.64 -0.03 0.44 -1.65 0.00 0.00 177.43 176.76 1agi h ASP 53 N 0.75 0.00 0.02 5.81 3.32 -1.82 -1.02 116.42 123.47 1agi h ASP 53 Ca 0.18 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1agi h ASP 53 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1agi h ASP 53 CO -0.01 0.03 -0.16 0.40 -1.72 0.00 0.00 179.24 177.78 1agi h ILE 54 N 0.00 1.66 -0.36 0.35 2.04 -1.22 -3.21 117.51 116.76 1agi h ILE 54 Ca -0.00 -2.15 0.02 0.00 1.00 0.00 0.00 64.86 63.74 1agi h ILE 54 Cb 0.78 3.09 -0.02 0.00 -0.74 0.00 0.00 36.82 39.93 1agi h ILE 54 CO 0.00 0.57 0.24 0.50 0.00 0.00 0.00 178.15 179.47 1agi h LYS 55 N -0.74 0.39 0.00 2.37 3.64 -1.27 -1.31 116.57 119.64 1agi h LYS 55 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1agi h LYS 55 Cb 1.02 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1agi h LYS 55 CO 0.03 0.25 0.00 0.00 -2.27 0.00 0.00 179.45 177.47 1agi n ALA 56 N -2.50 1.38 0.26 5.00 0.00 -0.40 -1.90 120.51 122.35 1agi n ALA 56 Ca 0.03 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.75 1agi n ALA 56 Cb 0.14 -1.36 0.70 0.00 0.00 0.00 0.00 19.45 18.93 1agi n ALA 56 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1agi h ILE 57 N 0.00 0.46 0.00 0.00 2.04 -1.26 -2.19 117.51 116.57 1agi h ILE 57 Ca 0.00 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1agi h ILE 57 Cb 0.20 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1agi h ILE 57 CO 0.00 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1agi s GLU 59 N -2.74 1.98 0.15 0.00 -1.05 -0.85 -4.89 118.70 111.30 1agi s GLU 59 Ca 0.18 -2.21 0.20 0.00 -0.15 0.00 0.00 54.97 53.00 1agi s GLU 59 Cb 0.16 -0.92 0.85 0.00 -0.44 0.00 0.00 34.13 33.77 1agi s GLU 59 CO 0.39 -0.40 1.63 -0.25 0.95 0.00 0.00 175.26 177.58 1agi n ASP 60 N -1.22 0.41 -0.21 0.83 8.00 -1.26 -2.01 116.55 121.08 1agi n ASP 60 Ca -0.09 0.59 -0.07 0.00 0.71 0.00 0.00 54.79 55.93 1agi n ASP 60 Cb 0.66 -0.68 0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1agi n ASP 60 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1agi h ARG 61 N 0.00 0.87 0.00 -1.24 2.43 -1.94 -3.33 114.38 111.17 1agi h ARG 61 Ca 0.00 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1agi h ARG 61 Cb 0.34 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 1agi h ARG 61 CO 0.00 0.73 -0.45 -1.71 -1.51 0.00 0.00 179.97 177.03 1agi n ASN 62 N -4.50 0.88 -3.88 -3.80 5.15 -1.01 -4.95 115.26 103.16 1agi n ASN 62 Ca 0.03 -2.42 -0.09 0.00 -0.60 0.00 0.00 54.58 51.50 1agi n ASN 62 Cb 0.14 -0.30 -0.07 0.00 -0.53 0.00 0.00 39.78 39.03 1agi n ASN 62 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1agi s GLY 63 N -1.80 0.17 0.03 8.20 0.00 -0.85 -1.47 107.32 111.60 1agi s GLY 63 Ca 0.16 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 44.22 1agi s GLY 63 CO -0.02 -0.80 -0.04 1.20 0.00 0.00 0.00 173.10 173.43 1agi s GLN 64 N -3.88 0.37 0.47 2.90 -0.21 -0.20 -4.41 119.66 114.69 1agi s GLN 64 Ca 0.08 -0.65 -0.24 0.00 0.02 0.00 0.00 55.36 54.57 1agi s GLN 64 Cb 0.04 0.01 -0.07 0.00 1.00 0.00 0.00 33.01 34.00 1agi s GLN 64 CO -0.09 -0.03 1.29 -1.25 -2.12 0.00 0.00 175.29 173.10 1agi s PRO 65 N -1.51 3.63 -0.07 2.91 0.04 -1.26 -0.46 135.00 138.28 1agi s PRO 65 Ca -0.14 2.09 -0.03 0.00 0.04 0.00 0.00 61.00 62.96 1agi s PRO 65 Cb -0.10 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 31.99 1agi s PRO 65 CO -0.01 -0.74 0.14 -0.47 0.04 0.00 0.00 177.00 175.95 1agi s TYR 66 N -1.35 -0.14 -1.51 0.56 5.04 0.04 -4.67 117.35 115.31 1agi s TYR 66 Ca 0.64 0.49 -0.13 0.00 -2.44 0.00 0.00 57.07 55.62 1agi s TYR 66 Cb -0.36 -0.18 0.07 0.00 0.35 0.00 0.00 41.96 41.84 1agi s TYR 66 CO 0.45 -0.20 1.01 0.54 -1.34 0.00 0.00 175.55 176.01 1agi n ARG 67 N 4.66 -5.86 0.00 4.97 1.74 -1.26 -1.26 116.66 119.65 1agi n ARG 67 Ca -0.18 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1agi n ARG 67 Cb 0.51 -5.54 0.00 0.00 -1.02 0.00 0.00 32.46 26.41 1agi n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1agi n GLY 68 N -1.73 1.47 0.34 -0.13 0.00 -1.26 -4.24 105.19 99.64 1agi n GLY 68 Ca 0.03 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1agi n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1agi n ASP 69 N 3.22 1.66 -4.98 1.61 8.00 -1.24 -4.99 116.55 119.83 1agi n ASP 69 Ca 0.00 -1.33 -0.21 0.00 0.71 0.00 0.00 54.79 53.96 1agi n ASP 69 Cb 0.00 0.61 0.03 0.00 -0.02 0.00 0.00 41.12 41.74 1agi n ASP 69 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1agi s LEU 70 N -2.49 3.09 -0.04 0.64 1.43 -0.39 -4.63 118.68 116.29 1agi s LEU 70 Ca 0.14 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.37 1agi s LEU 70 Cb 0.16 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.73 1agi s LEU 70 CO 0.59 -1.16 -0.07 -0.13 0.23 0.00 0.00 176.35 175.82 1agi s ARG 71 N -4.48 1.00 -0.08 1.70 1.81 -0.31 -0.78 118.95 117.80 1agi s ARG 71 Ca 0.53 -0.21 -0.01 0.00 -1.72 0.00 0.00 55.73 54.32 1agi s ARG 71 Cb -0.05 -0.93 -0.03 0.00 -0.45 0.00 0.00 34.95 33.49 1agi s ARG 71 CO 0.33 -0.01 -0.03 -1.50 -0.68 0.00 0.00 175.30 173.41 1agi s ILE 72 N 0.65 4.00 0.46 1.52 2.07 0.39 -1.33 121.20 128.96 1agi s ILE 72 Ca -0.10 -0.36 -0.22 0.00 -1.41 0.00 0.00 60.65 58.56 1agi s ILE 72 Cb -0.13 -2.67 -0.08 0.00 0.13 0.00 0.00 42.46 39.71 1agi s ILE 72 CO 0.01 0.59 1.08 -0.94 -1.91 0.00 0.00 174.94 173.77 1agi s SER 73 N -0.74 6.39 0.06 4.50 1.04 -0.39 -1.03 113.70 123.54 1agi s SER 73 Ca 0.11 2.07 0.01 0.00 0.48 0.00 0.00 55.95 58.62 1agi s SER 73 Cb -0.11 -2.58 -0.25 0.00 0.10 0.00 0.00 66.02 63.17 1agi s SER 73 CO 0.02 -0.75 1.07 0.11 0.98 0.00 0.00 173.24 174.66 1agi h LYS 74 N 1.95 0.15 -6.19 4.02 1.57 -1.60 -3.44 116.57 113.04 1agi h LYS 74 Ca -0.49 -0.26 -0.52 0.00 -1.87 0.00 0.00 60.65 57.51 1agi h LYS 74 Cb 1.23 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.57 1agi h LYS 74 CO 0.60 1.05 -0.55 -1.54 -0.57 0.00 0.00 179.45 178.44 1agi s SER 75 N -6.86 5.20 0.50 0.86 1.04 -1.26 -5.03 113.70 108.15 1agi s SER 75 Ca -0.04 -0.41 -0.13 0.00 0.48 0.00 0.00 55.95 55.85 1agi s SER 75 Cb 0.08 -1.17 -0.06 0.00 0.10 0.00 0.00 66.02 64.96 1agi s SER 75 CO 0.85 -0.08 0.91 -1.61 0.98 0.00 0.00 173.24 174.29 1agi s GLU 76 N -3.82 3.80 0.05 4.02 2.02 -1.26 -4.40 118.70 119.11 1agi s GLU 76 Ca 0.34 0.71 0.05 0.00 0.02 0.00 0.00 54.97 56.09 1agi s GLU 76 Cb -0.07 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.92 1agi s GLU 76 CO 0.24 -0.25 -0.14 -0.06 0.02 0.00 0.00 175.26 175.07 1agi s PHE 77 N -2.66 1.20 -0.06 1.61 0.40 0.31 -4.85 117.98 113.93 1agi s PHE 77 Ca 0.55 -0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 56.21 1agi s PHE 77 Cb -0.10 -0.71 -0.02 0.00 0.51 0.00 0.00 43.02 42.70 1agi s PHE 77 CO 0.36 0.04 1.02 -0.65 0.70 0.00 0.00 175.22 176.69 1agi s GLN 78 N -1.26 4.46 0.08 0.44 -1.52 -1.26 -1.53 119.66 119.06 1agi s GLN 78 Ca 0.01 1.44 0.01 0.00 -1.95 0.00 0.00 55.36 54.87 1agi s GLN 78 Cb -0.08 -3.51 -0.04 0.00 -0.22 0.00 0.00 33.01 29.16 1agi s GLN 78 CO 0.01 -0.25 -0.06 0.96 -0.25 0.00 0.00 175.29 175.70 1agi s ILE 79 N 1.70 0.59 -0.13 1.08 -4.36 0.14 -0.81 121.20 119.41 1agi s ILE 79 Ca 0.50 -1.70 -0.01 0.00 -0.26 0.00 0.00 60.65 59.19 1agi s ILE 79 Cb -0.20 -1.38 0.03 0.00 1.25 0.00 0.00 42.46 42.15 1agi s ILE 79 CO 0.22 -0.77 -0.07 -0.89 0.24 0.00 0.00 174.94 173.67 1agi s THR 80 N -3.10 1.02 -0.19 8.37 2.01 -0.19 -1.57 115.64 121.99 1agi s THR 80 Ca 0.06 -0.36 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 1agi s THR 80 Cb 0.02 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 1agi s THR 80 CO -0.04 0.30 0.25 -0.63 -0.69 0.00 0.00 174.62 173.80 1agi s ILE 81 N 1.70 5.33 -0.24 1.82 1.01 0.07 -0.89 121.20 130.00 1agi s ILE 81 Ca 0.04 0.42 -0.06 0.00 0.00 0.00 0.00 60.65 61.05 1agi s ILE 81 Cb -0.13 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 1agi s ILE 81 CO -0.08 0.37 0.03 0.00 0.00 0.00 0.00 174.94 175.26 1agi s LYS 83 N 1.53 3.21 0.29 0.00 -0.14 -0.57 -1.13 119.74 122.93 1agi s LYS 83 Ca 0.06 -0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 53.62 1agi s LYS 83 Cb -0.15 -2.59 -0.10 0.00 -1.68 0.00 0.00 37.83 33.31 1agi s LYS 83 CO 0.01 0.06 1.45 -1.58 -0.76 0.00 0.00 175.35 174.52 1agi s HIS 84 N 0.71 2.93 -0.01 3.18 5.65 0.31 -0.83 115.29 127.22 1agi s HIS 84 Ca -0.07 1.08 -0.01 0.00 0.25 0.00 0.00 55.06 56.30 1agi s HIS 84 Cb -0.16 -3.86 -0.04 0.00 -1.18 0.00 0.00 32.58 27.35 1agi s HIS 84 CO 0.01 -2.70 0.12 0.15 -0.65 0.00 0.00 174.74 171.67 1agi s LYS 85 N -0.86 3.20 0.00 2.88 1.02 0.08 -4.88 119.74 121.19 1agi s LYS 85 Ca 0.57 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.15 1agi s LYS 85 Cb -0.43 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1agi s LYS 85 CO 0.48 0.66 0.00 0.41 -0.92 0.00 0.00 175.35 175.98 1agi n GLY 86 N 1.14 -1.31 1.09 -3.33 0.00 -1.26 -4.56 105.19 96.95 1agi n GLY 86 Ca -0.13 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.42 1agi n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1agi n GLY 87 N -1.30 1.63 3.84 -0.02 0.00 -1.26 -4.96 105.19 103.13 1agi n GLY 87 Ca 0.00 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 1agi n GLY 87 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1agi s SER 88 N -1.33 6.83 0.00 1.61 0.15 -1.26 -4.97 113.70 114.73 1agi s SER 88 Ca 0.39 1.26 0.25 0.00 0.70 0.00 0.00 55.95 58.56 1agi s SER 88 Cb 0.22 -2.36 0.52 0.00 -1.71 0.00 0.00 66.02 62.68 1agi s SER 88 CO 0.30 -0.10 1.43 -0.24 1.20 0.00 0.00 173.24 175.82 1agi n SER 89 N 0.03 1.91 -4.67 5.45 2.88 -1.26 -4.85 113.62 113.11 1agi n SER 89 Ca 0.01 -1.50 -0.24 0.00 -1.33 0.00 0.00 58.87 55.81 1agi n SER 89 Cb 0.52 0.14 -0.07 0.00 -0.75 0.00 0.00 64.21 64.05 1agi n SER 89 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1agi s ARG 90 N -2.22 2.40 0.66 -1.46 0.52 -1.26 -1.51 118.95 116.08 1agi s ARG 90 Ca 0.28 -1.24 -0.15 0.00 -0.52 0.00 0.00 55.73 54.10 1agi s ARG 90 Cb 0.20 -2.29 -0.00 0.00 0.52 0.00 0.00 34.95 33.38 1agi s ARG 90 CO 0.42 0.41 1.12 -2.14 0.02 0.00 0.00 175.30 175.13 1agi s PRO 91 N -3.35 2.78 0.14 3.54 0.02 -1.26 -4.29 135.00 132.57 1agi s PRO 91 Ca 0.30 1.43 -0.31 0.00 0.02 0.00 0.00 61.00 62.43 1agi s PRO 91 Cb -0.08 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.41 1agi s PRO 91 CO 0.20 -1.27 1.46 -2.14 -0.33 0.00 0.00 177.00 174.91 1agi s PRO 92 N -4.04 4.28 -0.53 5.54 0.02 -1.26 -5.12 135.00 133.89 1agi s PRO 92 Ca 0.68 2.20 -0.21 0.00 0.02 0.00 0.00 61.00 63.69 1agi s PRO 92 Cb -0.21 -3.20 0.06 0.00 0.02 0.00 0.00 34.50 31.16 1agi s PRO 92 CO 0.41 -0.50 0.73 0.00 -0.33 0.00 0.00 177.00 177.30 1agi s ARG 94 N 3.03 3.99 0.06 0.00 1.81 -1.26 -4.80 118.95 121.79 1agi s ARG 94 Ca 0.19 0.53 0.02 0.00 -1.72 0.00 0.00 55.73 54.75 1agi s ARG 94 Cb -0.18 -2.81 -0.03 0.00 -0.45 0.00 0.00 34.95 31.48 1agi s ARG 94 CO 0.13 0.40 -0.08 0.71 -0.68 0.00 0.00 175.30 175.79 1agi s TYR 95 N -1.60 0.76 -0.13 -0.53 1.51 -1.26 -0.74 117.35 115.36 1agi s TYR 95 Ca 0.42 -0.63 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 1agi s TYR 95 Cb -0.14 -0.45 -0.03 0.00 -0.11 0.00 0.00 41.96 41.23 1agi s TYR 95 CO 0.20 -0.10 -0.00 0.20 -1.11 0.00 0.00 175.55 174.74 1agi s GLY 96 N -2.05 1.81 -0.02 0.71 0.00 -0.01 -4.63 107.32 103.12 1agi s GLY 96 Ca -0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 1agi s GLY 96 CO -0.01 -0.24 0.16 0.00 0.00 0.00 0.00 173.10 173.01 1agi s ALA 97 N -0.12 3.87 -0.11 3.20 0.00 -1.26 -1.51 121.76 125.83 1agi s ALA 97 Ca 0.04 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 1agi s ALA 97 Cb -0.13 -1.83 0.03 0.00 0.00 0.00 0.00 23.12 21.19 1agi s ALA 97 CO 0.02 0.72 -0.04 0.99 0.00 0.00 0.00 175.76 177.45 1agi s THR 98 N -1.25 0.80 0.14 0.00 2.01 -0.29 -4.86 115.64 112.19 1agi s THR 98 Ca 0.25 -0.22 -0.16 0.00 0.31 0.00 0.00 61.69 61.86 1agi s THR 98 Cb -0.12 -0.92 -0.07 0.00 0.01 0.00 0.00 72.50 71.40 1agi s THR 98 CO 0.16 0.26 0.58 -1.61 -0.69 0.00 0.00 174.62 173.32 1agi s GLU 99 N 1.79 4.06 0.17 4.92 2.02 -1.26 -0.75 118.70 129.65 1agi s GLU 99 Ca 0.04 0.59 -0.24 0.00 0.02 0.00 0.00 54.97 55.38 1agi s GLU 99 Cb -0.13 -2.98 0.06 0.00 0.10 0.00 0.00 34.13 31.18 1agi s GLU 99 CO -0.07 0.49 0.82 0.34 0.02 0.00 0.00 175.26 176.87 1agi s ASP 100 N -1.60 -0.29 -0.09 -0.19 -1.08 -0.61 -4.99 116.67 107.83 1agi s ASP 100 Ca 0.37 -0.35 -0.01 0.00 -0.52 0.00 0.00 52.55 52.03 1agi s ASP 100 Cb -0.16 0.56 0.03 0.00 -1.46 0.00 0.00 42.92 41.89 1agi s ASP 100 CO 0.19 -1.01 -0.01 -0.55 0.52 0.00 0.00 175.17 174.31 1agi s SER 101 N -2.84 1.78 0.20 -0.34 0.15 -1.26 -0.69 113.70 110.71 1agi s SER 101 Ca 0.09 -0.17 -0.23 0.00 0.70 0.00 0.00 55.95 56.34 1agi s SER 101 Cb -0.03 -0.53 0.05 0.00 -1.71 0.00 0.00 66.02 63.80 1agi s SER 101 CO -0.00 -0.18 0.82 0.00 1.20 0.00 0.00 173.24 175.07 1agi s ARG 102 N 1.91 1.46 0.42 5.44 1.70 -0.58 -4.85 118.95 124.45 1agi s ARG 102 Ca 0.05 -0.78 -0.23 0.00 -0.47 0.00 0.00 55.73 54.30 1agi s ARG 102 Cb -0.13 0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 34.68 1agi s ARG 102 CO -0.06 -0.67 1.02 0.14 -1.08 0.00 0.00 175.30 174.65 1agi s VAL 103 N -3.61 3.90 0.26 4.99 -7.23 -1.26 -0.53 120.40 116.93 1agi s VAL 103 Ca 0.10 1.35 0.12 0.00 -1.81 0.00 0.00 61.98 61.74 1agi s VAL 103 Cb -0.03 -3.65 -0.05 0.00 0.56 0.00 0.00 36.38 33.21 1agi s VAL 103 CO 0.03 -0.09 -0.20 0.27 -0.31 0.00 0.00 175.10 174.80 1agi s ILE 104 N -1.82 2.40 -0.13 -0.62 -4.36 -1.26 -4.94 121.20 110.48 1agi s ILE 104 Ca 0.60 -2.36 0.01 0.00 -0.26 0.00 0.00 60.65 58.64 1agi s ILE 104 Cb -0.18 -2.26 -0.01 0.00 1.25 0.00 0.00 42.46 41.26 1agi s ILE 104 CO 0.23 -0.39 -0.15 -0.69 0.24 0.00 0.00 174.94 174.17 1agi s VAL 105 N -2.47 2.81 0.18 8.37 1.01 -1.26 -1.26 120.40 127.77 1agi s VAL 105 Ca 0.28 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1agi s VAL 105 Cb -0.05 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1agi s VAL 105 CO 0.14 0.53 0.00 0.68 0.00 0.00 0.00 175.10 176.45 1agi s VAL 106 N 0.42 0.69 -0.09 2.92 -7.23 -0.44 -1.95 120.40 114.72 1agi s VAL 106 Ca -0.12 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1agi s VAL 106 Cb -0.16 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 1agi s VAL 106 CO 0.05 -0.46 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.46 1agi s GLY 107 N -3.18 1.63 0.24 2.32 0.00 0.15 -1.16 107.32 107.31 1agi s GLY 107 Ca 0.24 -0.90 0.09 0.00 0.00 0.00 0.00 44.72 44.15 1agi s GLY 107 CO 0.04 -0.47 0.01 0.00 0.00 0.00 0.00 173.10 172.68 1agi s GLU 109 N -3.47 0.15 -1.46 0.00 2.12 0.53 -4.86 118.70 111.70 1agi s GLU 109 Ca 0.30 0.70 -0.11 0.00 0.36 0.00 0.00 54.97 56.23 1agi s GLU 109 Cb -0.07 -0.06 0.05 0.00 0.26 0.00 0.00 34.13 34.30 1agi s GLU 109 CO 0.20 -0.26 0.92 0.09 -0.54 0.00 0.00 175.26 175.67 1agi n ASN 110 N 5.15 -5.38 0.00 -1.70 4.13 -1.26 -1.29 115.26 114.91 1agi n ASN 110 Ca -0.10 -0.58 0.00 0.00 1.68 0.00 0.00 54.58 55.58 1agi n ASN 110 Cb 0.50 -4.30 0.00 0.00 -1.54 0.00 0.00 39.78 34.45 1agi n ASN 110 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1agi n GLY 111 N -1.70 0.70 3.51 7.41 0.00 -1.26 -5.01 105.19 108.84 1agi n GLY 111 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1agi n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1agi s LEU 112 N 0.00 2.85 0.10 0.99 2.01 -0.41 -4.71 118.68 119.50 1agi s LEU 112 Ca 0.00 -0.20 -0.31 0.00 0.01 0.00 0.00 54.13 53.63 1agi s LEU 112 Cb 0.00 -1.61 -0.07 0.00 0.01 0.00 0.00 46.19 44.52 1agi s LEU 112 CO 0.00 0.32 1.23 -2.16 1.01 0.00 0.00 176.35 176.75 1agi s PRO 113 N -0.97 4.43 0.00 1.29 0.04 -1.26 -0.35 135.00 138.17 1agi s PRO 113 Ca 0.13 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1agi s PRO 113 Cb -0.11 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1agi s PRO 113 CO 0.03 -0.25 0.08 1.33 0.04 0.00 0.00 177.00 178.23 1agi n VAL 114 N 3.63 0.00 -3.76 -0.36 0.24 0.21 -4.42 118.33 113.87 1agi n VAL 114 Ca 0.08 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 61.96 1agi n VAL 114 Cb 0.45 1.11 -0.12 0.00 -1.47 0.00 0.00 33.84 33.81 1agi n VAL 114 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1agi s HIS 115 N -0.44 -0.32 -0.17 6.34 5.65 -0.97 -4.73 115.29 120.65 1agi s HIS 115 Ca 0.00 0.76 -0.05 0.00 0.25 0.00 0.00 55.06 56.02 1agi s HIS 115 Cb 0.00 0.09 -0.03 0.00 -1.18 0.00 0.00 32.58 31.46 1agi s HIS 115 CO 0.00 -0.18 0.00 0.12 -0.65 0.00 0.00 174.74 174.03 1agi s PHE 116 N 0.62 3.10 -0.77 3.88 5.36 -1.26 -0.68 117.98 128.22 1agi s PHE 116 Ca -0.04 -0.20 -0.21 0.00 -0.96 0.00 0.00 56.93 55.51 1agi s PHE 116 Cb -0.05 -2.02 0.09 0.00 -0.34 0.00 0.00 43.02 40.69 1agi s PHE 116 CO -0.04 -0.01 1.05 0.34 -1.46 0.00 0.00 175.22 175.11 1agi s ASP 117 N 0.49 6.34 0.22 6.13 -1.08 -0.82 -4.86 116.67 123.08 1agi s ASP 117 Ca -0.01 -1.36 0.23 0.00 -0.52 0.00 0.00 52.55 50.88 1agi s ASP 117 Cb -0.14 -2.42 0.93 0.00 -1.46 0.00 0.00 42.92 39.83 1agi s ASP 117 CO 0.02 -1.33 1.69 -0.62 0.52 0.00 0.00 175.17 175.45 1agi n GLU 118 N 7.42 0.17 0.10 4.34 -0.58 -1.26 -3.16 120.64 127.68 1agi n GLU 118 Ca 0.08 0.38 0.13 0.00 -0.42 0.00 0.00 57.16 57.32 1agi n GLU 118 Cb 0.47 -1.82 0.29 0.00 -0.57 0.00 0.00 31.44 29.81 1agi n GLU 118 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1agi h SER 119 N 0.00 0.00 -2.93 1.62 4.64 -1.98 -3.47 113.55 111.43 1agi h SER 119 Ca 0.00 -0.07 -0.53 0.00 -0.47 0.00 0.00 61.79 60.73 1agi h SER 119 Cb 0.38 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1agi h SER 119 CO 0.00 0.03 0.79 0.12 -0.87 0.00 0.00 176.83 176.90 1agi s PHE 120 N -3.14 3.17 0.00 4.77 5.36 -1.19 -5.04 117.98 121.91 1agi s PHE 120 Ca 0.08 0.82 0.07 0.00 -0.96 0.00 0.00 56.93 56.94 1agi s PHE 120 Cb 0.12 -3.78 -0.03 0.00 -0.34 0.00 0.00 43.02 38.99 1agi s PHE 120 CO 0.65 -2.81 -0.22 0.42 -1.46 0.00 0.00 175.22 171.80 1agi s ILE 121 N 1.11 2.45 0.30 3.12 1.01 -1.26 -5.06 121.20 122.87 1agi s ILE 121 Ca 0.67 -1.11 0.09 0.00 0.00 0.00 0.00 60.65 60.29 1agi s ILE 121 Cb -0.40 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1agi s ILE 121 CO 0.31 0.47 0.08 0.42 0.00 0.00 0.00 174.94 176.22 1agi s THR 122 N -0.76 3.36 -0.45 2.92 -4.23 -1.26 -5.05 115.64 110.18 1agi s THR 122 Ca 0.12 -1.77 -0.28 0.00 -1.18 0.00 0.00 61.69 58.58 1agi s THR 122 Cb -0.10 -2.96 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 1agi s THR 122 CO 0.01 -0.29 1.84 -2.16 -0.54 0.00 0.00 174.62 173.49 1agi s PRO 123 N -3.76 3.01 0.86 3.99 0.04 -1.26 -4.93 135.00 132.95 1agi s PRO 123 Ca 0.34 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 1agi s PRO 123 Cb -0.05 -4.28 0.11 0.00 0.04 0.00 0.00 34.50 30.32 1agi s PRO 123 CO 0.22 -2.25 1.16 1.03 0.04 0.00 0.00 177.00 177.19 1agi s ARG 124 N 6.29 1.37 0.00 4.56 0.52 -1.26 -5.08 118.95 125.35 1agi s ARG 124 Ca 0.75 1.57 0.19 0.00 -0.52 0.00 0.00 55.73 57.73 1agi s ARG 124 Cb -0.18 -1.76 0.15 0.00 0.52 0.00 0.00 34.95 33.68 1agi s ARG 124 CO 0.28 -2.38 1.11 1.58 0.02 0.00 0.00 175.30 175.91