#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q80 h ASP 2 N 0.00 -0.06 -0.49 -3.46 5.19 -1.99 -1.69 116.42 113.91 1q80 h ASP 2 Ca 0.00 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1q80 h ASP 2 Cb 0.00 0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.56 1q80 h ASP 2 CO 0.00 0.00 0.29 -0.07 -3.12 0.00 0.00 179.24 176.34 1q80 h LEU 3 N 0.10 0.45 0.48 1.55 3.38 -1.97 -1.65 115.31 117.65 1q80 h LEU 3 Ca 0.12 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1q80 h LEU 3 Cb 0.14 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1q80 h LEU 3 CO -0.19 0.32 -0.23 -0.25 0.09 0.00 0.00 178.44 178.18 1q80 h TRP 4 N 0.57 -0.60 -0.96 1.13 7.01 -1.84 -1.36 115.95 119.90 1q80 h TRP 4 Ca 0.20 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.24 1q80 h TRP 4 Cb 0.04 0.20 -0.06 0.00 -2.10 0.00 0.00 29.16 27.24 1q80 h TRP 4 CO -0.07 -0.34 0.62 -0.24 -2.79 0.00 0.00 178.44 175.61 1q80 h VAL 5 N -0.70 1.13 0.31 2.65 3.04 -1.30 -1.27 116.25 120.12 1q80 h VAL 5 Ca -0.07 -0.40 -0.02 0.00 -1.01 0.00 0.00 66.70 65.21 1q80 h VAL 5 Cb 0.52 -0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.65 1q80 h VAL 5 CO 0.11 0.21 -0.15 1.56 -1.01 0.00 0.00 177.57 178.29 1q80 h GLN 6 N 1.18 -0.41 -0.42 4.17 4.20 -1.23 -0.98 115.11 121.62 1q80 h GLN 6 Ca 0.40 0.03 -0.10 0.00 0.06 0.00 0.00 58.65 59.03 1q80 h GLN 6 Cb 0.07 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1q80 h GLN 6 CO -0.14 -0.14 -0.15 1.57 -0.67 0.00 0.00 178.83 179.30 1q80 h LYS 7 N -0.63 0.83 -0.37 1.46 2.10 -1.20 -1.42 116.57 117.34 1q80 h LYS 7 Ca -0.04 -0.34 -0.15 0.00 -2.00 0.00 0.00 60.65 58.11 1q80 h LYS 7 Cb 0.45 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 1q80 h LYS 7 CO 0.07 0.97 -0.37 0.52 -2.00 0.00 0.00 179.45 178.64 1q80 h MET 8 N 0.65 0.88 -0.75 0.07 2.86 -1.34 -1.77 114.93 115.53 1q80 h MET 8 Ca 0.10 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1q80 h MET 8 Cb 0.69 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.32 1q80 h MET 8 CO 0.05 1.10 0.41 0.87 1.06 0.00 0.00 176.91 180.40 1q80 h LYS 9 N 0.72 1.04 0.10 1.72 1.57 -1.18 -1.12 116.57 119.41 1q80 h LYS 9 Ca 0.06 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1q80 h LYS 9 Cb 0.95 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 33.00 1q80 h LYS 9 CO 0.09 0.76 -0.45 1.15 -0.57 0.00 0.00 179.45 180.43 1q80 h THR 10 N 1.05 0.12 -0.27 -0.16 2.02 -0.92 -1.12 112.91 113.62 1q80 h THR 10 Ca 0.27 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.48 1q80 h THR 10 Cb 0.02 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.52 1q80 h THR 10 CO -0.04 0.00 0.07 0.22 0.37 0.00 0.00 175.52 176.14 1q80 h TYR 11 N -0.67 0.12 0.19 3.16 3.20 -1.19 -1.18 116.97 120.61 1q80 h TYR 11 Ca 0.02 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1q80 h TYR 11 Cb 0.70 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 1q80 h TYR 11 CO -0.40 0.04 -0.27 0.35 -1.64 0.00 0.00 178.16 176.25 1q80 h PHE 12 N 0.18 -0.71 -0.26 -3.82 3.04 -1.03 0.10 116.94 114.44 1q80 h PHE 12 Ca 0.12 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 1q80 h PHE 12 Cb 0.12 0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 1q80 h PHE 12 CO -0.15 -0.38 0.11 -0.91 -2.02 0.00 0.00 178.31 174.96 1q80 h ASN 13 N -0.52 0.32 0.28 0.41 2.35 -1.15 -1.65 115.58 115.63 1q80 h ASN 13 Ca 0.01 -0.02 -0.32 0.00 -0.55 0.00 0.00 56.30 55.42 1q80 h ASN 13 Cb 0.51 -0.08 0.03 0.00 0.05 0.00 0.00 38.32 38.83 1q80 h ASN 13 CO -0.11 0.30 -1.39 0.03 -1.65 0.00 0.00 177.43 174.61 1q80 h ARG 14 N 0.37 0.53 0.00 0.81 2.47 -1.00 -3.37 114.38 114.17 1q80 h ARG 14 Ca 0.09 -0.84 -0.10 0.00 -1.26 0.00 0.00 59.98 57.87 1q80 h ARG 14 Cb 0.07 0.31 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 1q80 h ARG 14 CO -0.01 1.40 -0.47 0.97 0.56 0.00 0.00 179.97 182.41 1q80 h ILE 15 N 0.17 0.85 0.00 2.04 6.09 -0.67 -3.39 117.51 122.60 1q80 h ILE 15 Ca -0.22 -2.08 -0.55 0.00 -1.37 0.00 0.00 64.86 60.64 1q80 h ILE 15 Cb 2.08 2.33 0.02 0.00 0.47 0.00 0.00 36.82 41.72 1q80 h ILE 15 CO 0.26 0.46 2.84 -0.67 -3.07 0.00 0.00 178.15 177.97 1q80 n ASP 16 N -3.27 4.83 -0.23 2.19 2.03 -0.63 -4.70 116.55 116.78 1q80 n ASP 16 Ca 0.02 -2.54 -0.09 0.00 0.52 0.00 0.00 54.79 52.70 1q80 n ASP 16 Cb 0.69 -1.27 0.03 0.00 -0.72 0.00 0.00 41.12 39.86 1q80 n ASP 16 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1q80 h PHE 17 N 6.45 1.16 0.00 -0.67 3.04 -1.88 -3.07 116.94 121.98 1q80 h PHE 17 Ca 0.56 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 62.33 1q80 h PHE 17 Cb 0.39 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1q80 h PHE 17 CO 1.68 1.00 0.00 -3.47 -2.02 0.00 0.00 178.31 175.50 1q80 n ASP 18 N -4.22 0.56 0.00 0.41 -0.08 -1.26 -4.96 116.55 107.00 1q80 n ASP 18 Ca 0.04 0.64 0.00 0.00 -1.51 0.00 0.00 54.79 53.95 1q80 n ASP 18 Cb 0.31 -0.76 0.00 0.00 2.34 0.00 0.00 41.12 43.02 1q80 n ASP 18 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1q80 n LYS 19 N -2.11 -1.22 0.23 -0.67 0.00 -1.16 -4.92 118.16 108.30 1q80 n LYS 19 Ca 0.02 0.31 0.16 0.00 0.00 0.00 0.00 58.31 58.80 1q80 n LYS 19 Cb 0.22 -4.23 0.77 0.00 0.00 0.00 0.00 35.03 31.79 1q80 n LYS 19 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1q80 h ASP 20 N 0.00 0.00 0.00 3.14 1.82 -1.93 -3.46 116.42 115.99 1q80 h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1q80 h ASP 20 Cb 0.61 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1q80 h ASP 20 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1q80 n GLY 21 N -0.63 0.49 2.97 -0.78 0.00 -1.26 -5.09 105.19 100.89 1q80 n GLY 21 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1q80 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q80 s ALA 22 N -2.12 0.08 -0.47 4.61 0.00 -1.26 -4.39 121.76 118.21 1q80 s ALA 22 Ca 0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 51.96 51.22 1q80 s ALA 22 Cb 0.00 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1q80 s ALA 22 CO 0.00 -0.13 1.03 0.42 0.00 0.00 0.00 175.76 177.07 1q80 s ILE 23 N -1.20 4.34 0.34 0.00 -1.09 0.29 -4.73 121.20 119.15 1q80 s ILE 23 Ca -0.13 0.98 0.07 0.00 -2.23 0.00 0.00 60.65 59.34 1q80 s ILE 23 Cb -0.08 -4.52 -0.03 0.00 -1.58 0.00 0.00 42.46 36.25 1q80 s ILE 23 CO -0.01 -0.92 0.30 0.42 -1.23 0.00 0.00 174.94 173.51 1q80 s THR 24 N 4.09 0.00 0.42 2.92 -4.23 -1.26 -0.96 115.64 116.62 1q80 s THR 24 Ca 0.42 -1.97 0.15 0.00 -1.18 0.00 0.00 61.69 59.12 1q80 s THR 24 Cb -0.09 -2.52 0.36 0.00 1.34 0.00 0.00 72.50 71.59 1q80 s THR 24 CO 0.29 0.00 1.91 -0.09 -0.54 0.00 0.00 174.62 176.19 1q80 h ARG 25 N 2.10 0.43 -0.37 3.99 2.43 -1.93 -2.73 114.38 118.30 1q80 h ARG 25 Ca -0.24 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 58.96 1q80 h ARG 25 Cb 1.23 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.63 1q80 h ARG 25 CO 0.35 0.28 0.06 0.52 -1.51 0.00 0.00 179.97 179.68 1q80 h MET 26 N 0.44 0.18 -0.44 0.20 2.86 -1.96 -1.61 114.93 114.60 1q80 h MET 26 Ca 0.39 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 58.04 1q80 h MET 26 Cb 0.87 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1q80 h MET 26 CO -0.13 0.12 0.25 0.38 1.06 0.00 0.00 176.91 178.59 1q80 h ASP 27 N 0.18 0.41 -0.22 1.22 3.04 -1.80 0.12 116.42 119.37 1q80 h ASP 27 Ca 0.18 0.01 -0.02 0.00 -3.24 0.00 0.00 57.03 53.95 1q80 h ASP 27 Cb 0.21 -0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 38.41 1q80 h ASP 27 CO -0.24 0.29 0.06 -0.26 -2.04 0.00 0.00 179.24 177.06 1q80 h PHE 28 N 0.51 0.35 -0.09 4.15 -1.00 -1.56 0.21 116.94 119.51 1q80 h PHE 28 Ca 0.18 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 1q80 h PHE 28 Cb 0.02 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 39.48 1q80 h PHE 28 CO -0.07 0.42 -0.09 0.93 -1.61 0.00 0.00 178.31 177.89 1q80 h GLU 29 N 0.18 0.22 -0.22 1.51 5.08 -1.26 -1.39 114.58 118.70 1q80 h GLU 29 Ca 0.07 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1q80 h GLU 29 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1q80 h GLU 29 CO -0.00 0.65 0.10 0.77 -1.00 0.00 0.00 179.01 179.52 1q80 h SER 30 N -0.19 0.13 -0.27 1.42 0.02 -0.80 -2.70 113.55 111.16 1q80 h SER 30 Ca 0.01 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1q80 h SER 30 Cb 0.61 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1q80 h SER 30 CO 0.02 0.11 0.13 -0.03 -1.14 0.00 0.00 176.83 175.92 1q80 h MET 31 N 0.21 0.27 0.42 3.45 1.85 -0.66 -1.23 114.93 119.24 1q80 h MET 31 Ca 0.09 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.16 1q80 h MET 31 Cb 0.04 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 31.98 1q80 h MET 31 CO -0.08 0.18 -0.49 0.00 -0.40 0.00 0.00 176.91 176.12 1q80 h ALA 32 N 1.14 -1.07 -0.62 0.39 0.00 -1.03 0.28 119.26 118.35 1q80 h ALA 32 Ca 0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1q80 h ALA 32 Cb 0.03 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1q80 h ALA 32 CO -0.07 -1.15 0.15 0.93 0.00 0.00 0.00 179.25 179.11 1q80 h GLU 33 N -0.93 1.00 -0.34 0.00 5.08 -1.53 -1.77 114.58 116.08 1q80 h GLU 33 Ca -0.05 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 57.96 1q80 h GLU 33 Cb 0.83 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1q80 h GLU 33 CO -0.11 0.91 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.46 1q80 h ARG 34 N 0.91 0.70 0.03 2.33 9.65 -1.19 -2.55 114.38 124.26 1q80 h ARG 34 Ca 0.19 -0.29 -0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1q80 h ARG 34 Cb 0.36 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1q80 h ARG 34 CO 0.00 0.88 -0.01 0.35 2.80 0.00 0.00 179.97 183.99 1q80 h PHE 35 N 0.60 -0.03 -0.92 2.20 3.04 -0.36 -2.15 116.94 119.32 1q80 h PHE 35 Ca 0.08 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.12 1q80 h PHE 35 Cb 0.75 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 39.21 1q80 h PHE 35 CO 0.04 0.20 0.59 0.00 -2.02 0.00 0.00 178.31 177.12 1q80 h ALA 36 N 0.70 1.59 0.06 2.41 0.00 -1.33 -3.28 119.26 119.42 1q80 h ALA 36 Ca -0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1q80 h ALA 36 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1q80 h ALA 36 CO 0.01 0.22 -1.47 -0.22 0.00 0.00 0.00 179.25 177.79 1q80 h LYS 37 N 0.93 0.14 0.00 0.00 3.11 -1.46 -3.42 116.57 115.87 1q80 h LYS 37 Ca 0.42 -0.23 -0.14 0.00 -2.81 0.00 0.00 60.65 57.89 1q80 h LYS 37 Cb 0.38 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.68 1q80 h LYS 37 CO -0.18 0.95 -0.69 1.49 -2.81 0.00 0.00 179.45 178.21 1q80 h GLU 38 N 0.04 0.00 -5.38 1.90 4.57 -1.44 -3.48 114.58 110.78 1q80 h GLU 38 Ca -0.21 0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.32 1q80 h GLU 38 Cb 1.96 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 30.42 1q80 h GLU 38 CO 0.13 0.69 -0.55 0.45 -1.18 0.00 0.00 179.01 178.55 1q80 s SER 39 N -6.60 4.01 -0.53 1.04 0.15 -1.26 -5.10 113.70 105.40 1q80 s SER 39 Ca 0.02 -1.54 -0.28 0.00 0.70 0.00 0.00 55.95 54.84 1q80 s SER 39 Cb 0.10 0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1q80 s SER 39 CO 0.77 -0.69 1.30 -1.61 1.20 0.00 0.00 173.24 174.21 1q80 s GLU 40 N -3.81 3.48 0.25 5.44 0.41 -1.26 -4.99 118.70 118.22 1q80 s GLU 40 Ca 0.18 0.48 -0.10 0.00 -0.41 0.00 0.00 54.97 55.11 1q80 s GLU 40 Cb 0.05 -4.04 -0.01 0.00 -1.78 0.00 0.00 34.13 28.35 1q80 s GLU 40 CO 0.09 -1.71 0.44 0.00 -0.49 0.00 0.00 175.26 173.59 1q80 s MET 41 N 5.08 1.56 -0.62 1.61 0.23 -1.26 -5.00 119.30 120.90 1q80 s MET 41 Ca 0.50 -1.36 -0.27 0.00 -1.03 0.00 0.00 55.69 53.54 1q80 s MET 41 Cb -0.10 0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 33.64 1q80 s MET 41 CO 0.27 -0.64 1.80 0.21 -2.03 0.00 0.00 175.02 174.64 1q80 s LYS 42 N -3.90 2.69 0.08 3.16 2.36 -0.34 -4.91 119.74 118.88 1q80 s LYS 42 Ca 0.25 0.53 -0.00 0.00 -2.55 0.00 0.00 55.97 54.20 1q80 s LYS 42 Cb 0.00 -4.37 0.18 0.00 -1.05 0.00 0.00 37.83 32.60 1q80 s LYS 42 CO 0.11 -2.67 0.43 0.00 1.55 0.00 0.00 175.35 174.76 1q80 n ALA 43 N 12.40 0.12 -0.15 3.13 0.00 -1.26 -1.59 120.51 133.15 1q80 n ALA 43 Ca 0.19 0.30 0.24 0.00 0.00 0.00 0.00 53.44 54.16 1q80 n ALA 43 Cb 0.52 -0.20 0.65 0.00 0.00 0.00 0.00 19.45 20.41 1q80 n ALA 43 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1q80 h GLU 44 N 0.00 0.12 -0.50 0.00 3.07 -2.00 -3.32 114.58 111.96 1q80 h GLU 44 Ca 0.16 -0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.15 1q80 h GLU 44 Cb 0.30 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1q80 h GLU 44 CO -0.26 0.08 0.79 0.45 -1.40 0.00 0.00 179.01 178.67 1q80 h HIS 45 N 0.12 0.00 -0.76 4.33 3.86 -1.70 -3.25 115.15 117.76 1q80 h HIS 45 Ca 0.40 0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.75 1q80 h HIS 45 Cb 1.37 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.75 1q80 h HIS 45 CO -0.00 0.00 0.29 0.00 0.86 0.00 0.00 177.93 179.08 1q80 h ALA 46 N 0.88 1.06 -0.03 2.45 0.00 -1.86 0.21 119.26 121.98 1q80 h ALA 46 Ca 0.24 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1q80 h ALA 46 Cb 1.82 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1q80 h ALA 46 CO -0.00 -0.24 0.00 -0.22 0.00 0.00 0.00 179.25 178.79 1q80 h LYS 47 N 0.41 0.05 -0.24 0.00 1.63 -1.91 -0.09 116.57 116.42 1q80 h LYS 47 Ca 0.42 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.25 1q80 h LYS 47 Cb 0.66 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.24 1q80 h LYS 47 CO -0.43 0.33 -0.04 0.28 -3.45 0.00 0.00 179.45 176.15 1q80 h VAL 48 N -0.24 0.79 0.92 2.00 2.07 -1.67 -0.95 116.25 119.18 1q80 h VAL 48 Ca 0.01 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1q80 h VAL 48 Cb 0.31 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1q80 h VAL 48 CO 0.00 0.01 -0.49 0.25 0.02 0.00 0.00 177.57 177.35 1q80 h LEU 49 N 0.03 -1.20 -1.37 2.57 5.85 -0.64 -1.48 115.31 119.07 1q80 h LEU 49 Ca 0.11 0.05 0.17 0.00 0.84 0.00 0.00 57.88 59.06 1q80 h LEU 49 Cb 0.16 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 1q80 h LEU 49 CO -0.22 -0.80 0.58 -0.03 -0.34 0.00 0.00 178.44 177.63 1q80 h MET 50 N -1.30 0.55 0.03 1.25 4.05 -0.93 -1.12 114.93 117.46 1q80 h MET 50 Ca -0.13 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1q80 h MET 50 Cb 1.02 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 1q80 h MET 50 CO 0.17 0.36 -0.01 -0.44 0.23 0.00 0.00 176.91 177.22 1q80 h ASP 51 N 0.56 -0.03 -0.28 1.39 3.32 -1.01 -1.08 116.42 119.29 1q80 h ASP 51 Ca 0.46 -0.37 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1q80 h ASP 51 Cb 0.93 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1q80 h ASP 51 CO -0.21 0.36 -0.23 0.77 -1.72 0.00 0.00 179.24 178.21 1q80 h SER 52 N -0.43 0.77 -0.13 6.45 4.64 -0.82 -1.19 113.55 122.86 1q80 h SER 52 Ca -0.00 -0.28 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 1q80 h SER 52 Cb 0.40 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1q80 h SER 52 CO 0.01 0.98 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.84 1q80 h LEU 53 N 0.66 0.25 -0.81 5.97 4.07 -1.29 0.52 115.31 124.68 1q80 h LEU 53 Ca 0.09 -0.38 -0.01 0.00 0.08 0.00 0.00 57.88 57.67 1q80 h LEU 53 Cb 0.74 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.37 1q80 h LEU 53 CO 0.06 0.58 0.49 0.71 -1.08 0.00 0.00 178.44 179.19 1q80 h THR 54 N -0.07 1.23 -0.56 0.22 1.35 -1.24 -2.82 112.91 111.02 1q80 h THR 54 Ca 0.03 -0.51 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1q80 h THR 54 Cb 0.47 0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 66.96 1q80 h THR 54 CO 0.01 0.24 0.34 1.23 -0.25 0.00 0.00 175.52 177.10 1q80 h GLY 55 N 1.11 0.80 0.53 5.82 0.00 -1.03 0.07 103.07 110.37 1q80 h GLY 55 Ca 0.29 -0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.35 1q80 h GLY 55 CO -0.05 0.31 0.04 -2.08 0.00 0.00 0.00 176.54 174.76 1q80 h VAL 56 N 0.75 0.79 0.51 4.60 2.07 -0.78 -0.73 116.25 123.46 1q80 h VAL 56 Ca 0.20 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1q80 h VAL 56 Cb -0.04 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1q80 h VAL 56 CO -0.04 0.03 -0.25 -0.25 0.02 0.00 0.00 177.57 177.08 1q80 h TRP 57 N 0.14 -0.64 -0.63 1.57 2.91 -1.39 -2.04 115.95 115.87 1q80 h TRP 57 Ca 0.16 -0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.28 1q80 h TRP 57 Cb 0.20 0.21 -0.08 0.00 -0.51 0.00 0.00 29.16 28.98 1q80 h TRP 57 CO -0.21 -0.40 0.18 -0.44 -1.03 0.00 0.00 178.44 176.54 1q80 h ASP 58 N -1.16 0.09 0.83 2.65 3.32 -0.97 -1.91 116.42 119.27 1q80 h ASP 58 Ca -0.07 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1q80 h ASP 58 Cb 0.53 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1q80 h ASP 58 CO 0.12 0.05 -1.21 0.59 -1.72 0.00 0.00 179.24 177.07 1q80 n ASN 59 N -5.08 0.79 0.04 6.45 5.03 -0.29 -4.68 115.26 117.52 1q80 n ASN 59 Ca 0.10 0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.86 1q80 n ASN 59 Cb 0.33 0.48 0.00 0.00 -1.02 0.00 0.00 39.78 39.56 1q80 n ASN 59 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1q80 n PHE 60 N -2.71 -0.48 0.27 3.10 3.72 -1.03 -4.85 117.46 115.48 1q80 n PHE 60 Ca -0.03 0.09 0.12 0.00 -0.05 0.00 0.00 57.45 57.57 1q80 n PHE 60 Cb 0.64 0.20 0.76 0.00 -0.94 0.00 0.00 39.48 40.14 1q80 n PHE 60 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1q80 h LEU 61 N 0.00 0.00 -1.79 4.37 3.38 -1.32 -2.95 115.31 117.01 1q80 h LEU 61 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1q80 h LEU 61 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1q80 h LEU 61 CO 0.00 0.07 0.16 0.74 0.09 0.00 0.00 178.44 179.50 1q80 h THR 62 N 0.00 1.04 0.00 0.22 2.02 -1.60 -3.04 112.91 111.56 1q80 h THR 62 Ca -0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1q80 h THR 62 Cb 0.18 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1q80 h THR 62 CO 0.01 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.95 1q80 n ALA 63 N -2.51 1.48 0.15 6.16 0.00 -1.12 -2.29 120.51 122.38 1q80 n ALA 63 Ca 0.01 0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 1q80 n ALA 63 Cb 0.09 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 1q80 n ALA 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1q80 h VAL 64 N 0.00 0.13 -0.49 0.00 2.07 -1.74 -3.36 116.25 112.86 1q80 h VAL 64 Ca 0.00 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 1q80 h VAL 64 Cb 0.20 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1q80 h VAL 64 CO 0.00 0.03 0.04 0.00 0.02 0.00 0.00 177.57 177.66 1q80 n ALA 65 N -2.72 3.71 -1.65 1.67 0.00 -1.25 -4.99 120.51 115.28 1q80 n ALA 65 Ca -0.06 -2.15 -0.19 0.00 0.00 0.00 0.00 53.44 51.04 1q80 n ALA 65 Cb 0.21 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.59 1q80 n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q80 n GLY 66 N 0.09 1.52 0.00 0.00 0.00 -0.97 -3.97 105.19 101.86 1q80 n GLY 66 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1q80 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q80 n GLY 67 N -0.42 2.60 3.85 -0.02 0.00 -0.99 -4.99 105.19 105.22 1q80 n GLY 67 Ca -0.19 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1q80 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q80 s LYS 68 N 0.00 2.31 1.44 1.61 3.01 -1.25 -4.96 119.74 121.90 1q80 s LYS 68 Ca 0.00 0.45 -0.23 0.00 -1.01 0.00 0.00 55.97 55.18 1q80 s LYS 68 Cb 0.00 -1.96 0.37 0.00 -1.01 0.00 0.00 37.83 35.24 1q80 s LYS 68 CO 0.00 -1.42 0.90 0.41 0.51 0.00 0.00 175.35 175.75 1q80 n GLY 69 N -2.68 -3.65 2.79 -3.33 0.00 -1.26 -4.61 105.19 92.45 1q80 n GLY 69 Ca 0.07 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 1q80 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q80 s ILE 70 N -2.16 0.60 0.81 -0.61 -1.09 -0.14 -4.86 121.20 113.75 1q80 s ILE 70 Ca 0.68 -0.24 -0.12 0.00 -2.23 0.00 0.00 60.65 58.74 1q80 s ILE 70 Cb -0.15 -0.85 0.08 0.00 -1.58 0.00 0.00 42.46 39.95 1q80 s ILE 70 CO 0.59 0.11 1.13 1.51 -1.23 0.00 0.00 174.94 177.05 1q80 s ASP 71 N 1.86 4.50 0.33 3.58 1.47 -1.26 -0.55 116.67 126.59 1q80 s ASP 71 Ca 0.03 1.03 0.00 0.00 1.18 0.00 0.00 52.55 54.79 1q80 s ASP 71 Cb -0.14 -1.67 0.55 0.00 -0.34 0.00 0.00 42.92 41.32 1q80 s ASP 71 CO -0.07 -1.94 1.99 -0.08 0.68 0.00 0.00 175.17 175.75 1q80 h GLU 72 N -1.07 0.93 0.52 2.11 4.81 -2.00 0.13 114.58 120.01 1q80 h GLU 72 Ca -0.47 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 1q80 h GLU 72 Cb 1.30 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 30.48 1q80 h GLU 72 CO 0.63 0.63 -0.25 1.15 -0.73 0.00 0.00 179.01 180.44 1q80 h THR 73 N 0.96 0.48 -0.71 0.32 2.02 -1.97 -0.87 112.91 113.14 1q80 h THR 73 Ca 0.26 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 1q80 h THR 73 Cb -0.10 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 1q80 h THR 73 CO -0.05 0.01 0.38 0.71 0.37 0.00 0.00 175.52 176.94 1q80 h THR 74 N -0.73 1.22 0.27 3.16 1.35 -1.92 0.37 112.91 116.63 1q80 h THR 74 Ca -0.07 -0.56 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 1q80 h THR 74 Cb 0.55 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.27 1q80 h THR 74 CO 0.12 0.24 -0.14 0.15 -0.25 0.00 0.00 175.52 175.64 1q80 h PHE 75 N 0.97 -0.35 -0.02 4.73 3.57 -0.94 -0.95 116.94 123.95 1q80 h PHE 75 Ca 0.25 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1q80 h PHE 75 Cb 0.05 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1q80 h PHE 75 CO -0.00 -0.22 0.01 0.82 -2.23 0.00 0.00 178.31 176.68 1q80 h ILE 76 N -0.38 1.18 0.18 1.41 2.04 -1.08 -1.30 117.51 119.56 1q80 h ILE 76 Ca -0.04 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 1q80 h ILE 76 Cb 0.29 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1q80 h ILE 76 CO 0.06 0.15 -0.14 -1.13 0.00 0.00 0.00 178.15 177.08 1q80 h ASN 77 N -0.18 -0.36 0.16 1.72 -1.24 -0.96 -1.23 115.58 113.49 1q80 h ASN 77 Ca 0.01 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 1q80 h ASN 77 Cb 0.23 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1q80 h ASN 77 CO 0.00 -0.22 -0.08 0.77 -1.29 0.00 0.00 177.43 176.61 1q80 h SER 78 N -0.33 -0.19 -0.25 1.15 4.64 -1.24 -3.27 113.55 114.06 1q80 h SER 78 Ca -0.01 -0.24 -0.15 0.00 -0.47 0.00 0.00 61.79 60.92 1q80 h SER 78 Cb 0.29 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1q80 h SER 78 CO -0.01 0.15 -0.41 0.24 -0.87 0.00 0.00 176.83 175.93 1q80 h MET 79 N -0.55 0.80 -0.93 4.77 2.86 -1.32 -2.27 114.93 118.30 1q80 h MET 79 Ca -0.02 -0.43 0.02 0.00 -2.06 0.00 0.00 59.70 57.20 1q80 h MET 79 Cb 0.42 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 1q80 h MET 79 CO 0.04 1.06 0.61 -0.22 1.06 0.00 0.00 176.91 179.46 1q80 h LYS 80 N 0.65 1.20 0.20 1.72 3.64 -1.35 -2.08 116.57 120.55 1q80 h LYS 80 Ca 0.05 -0.07 -0.26 0.00 -1.27 0.00 0.00 60.65 59.09 1q80 h LYS 80 Cb 0.98 -0.27 0.03 0.00 -0.41 0.00 0.00 32.23 32.56 1q80 h LYS 80 CO 0.09 0.79 -1.15 1.49 -2.27 0.00 0.00 179.45 178.41 1q80 h GLU 81 N 1.24 0.43 -0.00 1.90 4.57 -1.63 -3.36 114.58 117.73 1q80 h GLU 81 Ca 0.35 -0.73 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1q80 h GLU 81 Cb -0.11 0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1q80 h GLU 81 CO -0.08 1.35 0.00 0.52 -1.18 0.00 0.00 179.01 179.61 1q80 h MET 82 N -0.10 0.00 0.00 1.92 2.86 -1.30 -2.62 114.93 115.69 1q80 h MET 82 Ca -0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1q80 h MET 82 Cb 1.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.57 1q80 h MET 82 CO 0.22 0.00 0.00 -0.39 1.06 0.00 0.00 176.91 177.80 1q80 h VAL 83 N 0.00 0.00 0.00 -2.22 -1.51 -1.52 -3.26 116.25 107.75 1q80 h VAL 83 Ca 0.00 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1q80 h VAL 83 Cb 0.00 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 1q80 h VAL 83 CO -0.00 0.00 0.00 2.29 -1.23 0.00 0.00 177.57 178.63 1q80 n LYS 84 N -3.08 0.02 -2.92 5.19 2.85 -0.99 -4.60 118.16 114.63 1q80 n LYS 84 Ca 0.01 0.25 -0.43 0.00 -1.05 0.00 0.00 58.31 57.09 1q80 n LYS 84 Cb 0.30 -1.54 -0.05 0.00 -0.65 0.00 0.00 35.03 33.09 1q80 n LYS 84 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1q80 s ASN 85 N -3.15 6.53 0.66 -5.58 3.84 -1.23 -4.99 114.94 111.02 1q80 s ASN 85 Ca 0.07 0.25 0.41 0.00 0.21 0.00 0.00 52.86 53.80 1q80 s ASN 85 Cb 0.10 -2.41 2.23 0.00 -0.55 0.00 0.00 41.25 40.63 1q80 s ASN 85 CO 0.30 -0.83 2.29 1.55 -2.79 0.00 0.00 177.10 177.62 1q80 h PRO 86 N 8.67 0.00 -0.02 0.43 0.13 -1.90 -3.10 132.00 136.20 1q80 h PRO 86 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1q80 h PRO 86 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1q80 h PRO 86 CO 0.95 0.00 -0.06 0.39 -0.23 0.00 0.00 178.00 179.05 1q80 n GLU 87 N -3.16 1.61 0.00 0.86 -0.58 -1.26 -4.54 120.64 113.57 1q80 n GLU 87 Ca -0.03 -1.51 0.09 0.00 -0.42 0.00 0.00 57.16 55.29 1q80 n GLU 87 Cb 0.13 -1.36 0.51 0.00 -0.57 0.00 0.00 31.44 30.15 1q80 n GLU 87 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q80 n ALA 88 N 0.89 2.44 -0.34 0.62 0.00 -1.17 -4.52 120.51 118.41 1q80 n ALA 88 Ca 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1q80 n ALA 88 Cb 0.46 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.65 1q80 n ALA 88 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1q80 h LYS 89 N 0.00 -0.04 -0.04 0.00 1.57 -1.81 -2.68 116.57 113.56 1q80 h LYS 89 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1q80 h LYS 89 Cb 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1q80 h LYS 89 CO 0.00 -0.03 0.03 0.77 -0.57 0.00 0.00 179.45 179.65 1q80 h SER 90 N -0.04 0.00 0.50 0.86 0.02 -1.97 0.35 113.55 113.27 1q80 h SER 90 Ca 0.31 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.17 1q80 h SER 90 Cb 0.58 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1q80 h SER 90 CO -0.92 0.00 -0.40 -0.37 -1.14 0.00 0.00 176.83 174.00 1q80 h VAL 91 N 0.00 1.17 0.05 2.27 -1.51 -1.84 -0.97 116.25 115.43 1q80 h VAL 91 Ca 0.02 -1.42 -0.36 0.00 -1.23 0.00 0.00 66.70 63.70 1q80 h VAL 91 Cb 0.08 1.79 -0.05 0.00 -2.13 0.00 0.00 31.29 30.99 1q80 h VAL 91 CO -0.00 0.39 -2.16 0.55 -1.23 0.00 0.00 177.57 175.13 1q80 n VAL 92 N -3.90 1.60 0.08 7.19 3.14 -0.63 -4.53 118.33 121.28 1q80 n VAL 92 Ca -0.01 -0.69 -0.05 0.00 -2.96 0.00 0.00 64.34 60.62 1q80 n VAL 92 Cb 0.45 -1.31 -0.04 0.00 -1.06 0.00 0.00 33.84 31.88 1q80 n VAL 92 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 1q80 h GLU 93 N 0.03 0.00 -1.00 1.45 4.11 -0.41 -3.40 114.58 115.36 1q80 h GLU 93 Ca -0.47 0.00 0.41 0.00 0.07 0.00 0.00 59.36 59.38 1q80 h GLU 93 Cb 2.02 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 31.09 1q80 h GLU 93 CO 0.02 0.89 0.52 0.78 0.07 0.00 0.00 179.01 181.29 1q80 h GLY 94 N 2.68 2.23 2.00 1.06 0.00 -1.39 -1.96 103.07 107.69 1q80 h GLY 94 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1q80 h GLY 94 CO 0.12 -0.79 -0.03 -2.55 0.00 0.00 0.00 176.54 173.28 1q80 h PRO 95 N 0.00 0.00 0.17 4.80 0.11 -1.86 -3.35 132.00 131.87 1q80 h PRO 95 Ca 0.84 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.95 1q80 h PRO 95 Cb 2.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 33.29 1q80 h PRO 95 CO -0.78 0.03 -0.18 -0.07 -0.21 0.00 0.00 178.00 176.79 1q80 h LEU 96 N 0.00 -0.49 -1.11 2.35 -0.00 -1.68 -0.85 115.31 113.52 1q80 h LEU 96 Ca -0.00 0.05 0.10 0.00 -0.00 0.00 0.00 57.88 58.03 1q80 h LEU 96 Cb 0.13 0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 40.90 1q80 h LEU 96 CO 0.00 -0.27 0.61 1.55 -0.00 0.00 0.00 178.44 180.33 1q80 h PRO 97 N -0.39 0.95 0.05 1.13 0.13 -1.82 -1.45 132.00 130.60 1q80 h PRO 97 Ca 0.00 -0.06 -0.24 0.00 -0.87 0.00 0.00 66.00 64.84 1q80 h PRO 97 Cb 0.38 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 31.29 1q80 h PRO 97 CO -0.05 0.63 -1.05 -0.07 -0.23 0.00 0.00 178.00 177.22 1q80 h LEU 98 N 0.98 0.39 -1.07 1.56 4.07 -1.76 -3.28 115.31 116.20 1q80 h LEU 98 Ca 0.44 -0.36 -0.07 0.00 0.08 0.00 0.00 57.88 57.97 1q80 h LEU 98 Cb 0.38 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 1q80 h LEU 98 CO -0.20 1.22 -0.09 -0.26 -1.08 0.00 0.00 178.44 178.03 1q80 h PHE 99 N 0.13 0.59 -0.13 1.13 0.04 -0.90 -3.04 116.94 114.75 1q80 h PHE 99 Ca -0.09 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.64 1q80 h PHE 99 Cb 1.73 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 39.67 1q80 h PHE 99 CO 0.05 0.63 -0.17 0.35 -0.60 0.00 0.00 178.31 178.57 1q80 h PHE 100 N 0.52 -0.44 0.00 -0.55 3.57 -1.33 -1.63 116.94 117.08 1q80 h PHE 100 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1q80 h PHE 100 Cb 0.47 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1q80 h PHE 100 CO 0.02 -0.25 -0.18 -0.09 -2.23 0.00 0.00 178.31 175.58 1q80 h ARG 101 N -0.21 0.00 -0.04 1.11 1.12 -1.64 -2.95 114.38 111.77 1q80 h ARG 101 Ca 0.10 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.95 1q80 h ARG 101 Cb 0.36 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.32 1q80 h ARG 101 CO -0.26 0.18 -0.04 0.00 -3.11 0.00 0.00 179.97 176.74 1q80 h ALA 102 N 1.82 0.06 0.00 2.80 0.00 -1.31 -3.29 119.26 119.34 1q80 h ALA 102 Ca -0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1q80 h ALA 102 Cb 0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1q80 h ALA 102 CO 0.02 -0.17 -0.00 0.28 0.00 0.00 0.00 179.25 179.38 1q80 h VAL 103 N -0.36 0.01 0.00 0.00 2.07 -1.30 -3.40 116.25 113.27 1q80 h VAL 103 Ca 0.01 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 1q80 h VAL 103 Cb 0.53 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1q80 h VAL 103 CO 0.01 0.00 0.90 -0.67 0.02 0.00 0.00 177.57 177.83 1q80 n ASP 104 N -3.10 1.13 0.33 0.57 2.03 -1.12 -4.74 116.55 111.66 1q80 n ASP 104 Ca 0.00 -1.87 0.17 0.00 0.52 0.00 0.00 54.79 53.61 1q80 n ASP 104 Cb 0.28 -0.45 0.92 0.00 -0.72 0.00 0.00 41.12 41.15 1q80 n ASP 104 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q80 h THR 105 N 3.32 0.01 0.00 5.18 1.03 -1.88 -2.01 112.91 118.56 1q80 h THR 105 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.49 1q80 h THR 105 Cb 0.15 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 67.98 1q80 h THR 105 CO 0.78 0.00 -0.63 -0.46 -0.01 0.00 0.00 175.52 175.21 1q80 n ASN 106 N -2.95 0.70 -2.42 0.00 6.94 -1.26 -1.20 115.26 115.06 1q80 n ASN 106 Ca -0.02 0.12 -0.10 0.00 -0.02 0.00 0.00 54.58 54.56 1q80 n ASN 106 Cb 0.31 0.16 0.05 0.00 -2.36 0.00 0.00 39.78 37.94 1q80 n ASN 106 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1q80 n GLU 107 N -2.10 -3.83 0.00 -3.83 4.07 -0.76 -4.91 120.64 109.29 1q80 n GLU 107 Ca 0.03 0.50 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 1q80 n GLU 107 Cb 0.44 -4.46 0.00 0.00 -0.06 0.00 0.00 31.44 27.36 1q80 n GLU 107 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1q80 n ASP 108 N -2.25 3.81 0.00 4.31 -0.08 -1.26 -5.05 116.55 116.02 1q80 n ASP 108 Ca -0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 1q80 n ASP 108 Cb 0.60 0.63 0.00 0.00 2.34 0.00 0.00 41.12 44.69 1q80 n ASP 108 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1q80 n ASN 109 N -1.31 -2.47 -3.77 1.67 5.15 -1.26 -5.07 115.26 108.20 1q80 n ASN 109 Ca 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 1q80 n ASN 109 Cb 0.13 -0.41 -0.13 0.00 -0.53 0.00 0.00 39.78 38.84 1q80 n ASN 109 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1q80 s ASN 110 N -2.74 -0.20 -0.18 1.20 0.01 -1.26 -4.60 114.94 107.17 1q80 s ASN 110 Ca 0.00 0.40 -0.09 0.00 -0.71 0.00 0.00 52.86 52.46 1q80 s ASN 110 Cb 0.00 0.34 -0.05 0.00 0.41 0.00 0.00 41.25 41.95 1q80 s ASN 110 CO 0.00 -0.12 0.13 -0.63 -1.51 0.00 0.00 177.10 174.97 1q80 s ILE 111 N 0.75 5.43 0.58 0.60 1.01 -0.63 -4.85 121.20 124.09 1q80 s ILE 111 Ca -0.05 0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.82 1q80 s ILE 111 Cb -0.07 -3.46 0.06 0.00 0.01 0.00 0.00 42.46 39.00 1q80 s ILE 111 CO -0.04 0.47 0.81 -0.94 0.00 0.00 0.00 174.94 175.24 1q80 s SER 112 N 0.11 5.07 0.12 3.58 1.04 -1.26 -0.56 113.70 121.80 1q80 s SER 112 Ca 0.09 -0.24 -0.20 0.00 0.48 0.00 0.00 55.95 56.09 1q80 s SER 112 Cb -0.11 -0.51 -0.04 0.00 0.10 0.00 0.00 66.02 65.46 1q80 s SER 112 CO -0.01 -1.30 1.74 0.08 0.98 0.00 0.00 173.24 174.73 1q80 h ARG 113 N 0.00 0.12 0.00 4.02 0.11 -2.00 -1.58 114.38 115.05 1q80 h ARG 113 Ca -0.39 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.60 1q80 h ARG 113 Cb 1.29 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 1q80 h ARG 113 CO 0.47 0.08 -0.40 -0.44 0.10 0.00 0.00 179.97 179.78 1q80 h ASP 114 N 0.12 0.00 -0.03 0.08 3.32 -1.97 -1.25 116.42 116.69 1q80 h ASP 114 Ca 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1q80 h ASP 114 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1q80 h ASP 114 CO -0.11 0.40 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.48 1q80 h GLU 115 N 0.00 0.06 -0.86 3.56 5.08 -1.90 0.39 114.58 120.91 1q80 h GLU 115 Ca -0.00 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1q80 h GLU 115 Cb 0.92 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 1q80 h GLU 115 CO 0.05 0.36 0.56 -0.92 -1.00 0.00 0.00 179.01 178.07 1q80 h TYR 116 N -0.26 1.01 -0.52 4.33 3.20 -1.30 -1.64 116.97 121.79 1q80 h TYR 116 Ca 0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1q80 h TYR 116 Cb 0.34 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1q80 h TYR 116 CO 0.04 0.56 0.26 0.78 -1.64 0.00 0.00 178.16 178.16 1q80 h GLY 117 N 1.02 0.80 1.05 1.82 0.00 -1.05 -1.15 103.07 105.56 1q80 h GLY 117 Ca 0.35 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 1q80 h GLY 117 CO -0.12 0.37 0.22 -2.22 0.00 0.00 0.00 176.54 174.79 1q80 h ILE 118 N 0.70 1.26 0.03 2.60 5.03 -0.53 0.50 117.51 127.11 1q80 h ILE 118 Ca 0.18 -0.90 0.03 0.00 -0.12 0.00 0.00 64.86 64.05 1q80 h ILE 118 Cb 0.09 0.49 -0.04 0.00 -3.03 0.00 0.00 36.82 34.33 1q80 h ILE 118 CO -0.03 0.35 -0.25 0.15 -0.68 0.00 0.00 178.15 177.70 1q80 h PHE 119 N 1.06 -0.67 -0.42 1.37 3.57 -1.14 -1.45 116.94 119.26 1q80 h PHE 119 Ca 0.23 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.82 1q80 h PHE 119 Cb 0.31 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 1q80 h PHE 119 CO 0.02 -0.34 0.04 0.74 -2.23 0.00 0.00 178.31 176.54 1q80 h PHE 120 N -0.40 0.05 -0.71 0.41 -1.00 -1.05 -2.51 116.94 111.72 1q80 h PHE 120 Ca 0.05 0.03 0.11 0.00 2.81 0.00 0.00 57.97 60.98 1q80 h PHE 120 Cb 0.47 0.04 -0.08 0.00 3.61 0.00 0.00 35.95 39.99 1q80 h PHE 120 CO -0.27 -0.05 0.31 0.78 -1.61 0.00 0.00 178.31 177.48 1q80 h GLY 121 N 0.15 1.07 1.00 -1.45 0.00 -0.62 -1.42 103.07 101.81 1q80 h GLY 121 Ca 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1q80 h GLY 121 CO -0.31 -0.02 0.33 -0.33 0.00 0.00 0.00 176.54 176.21 1q80 h MET 122 N 0.51 0.94 0.00 4.80 2.86 -0.86 -2.30 114.93 120.87 1q80 h MET 122 Ca 0.37 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1q80 h MET 122 Cb 0.48 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1q80 h MET 122 CO -0.33 0.73 0.00 -0.07 1.06 0.00 0.00 176.91 178.31 1q80 h LEU 123 N 0.91 0.00 -0.01 1.22 -0.00 -1.04 -3.46 115.31 112.92 1q80 h LEU 123 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1q80 h LEU 123 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1q80 h LEU 123 CO -0.03 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.02 1q80 n GLY 124 N -0.77 1.38 3.52 0.83 0.00 -0.87 -5.05 105.19 104.24 1q80 n GLY 124 Ca -0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1q80 n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q80 s LEU 125 N -0.01 2.68 0.02 0.99 1.02 -0.58 -5.00 118.68 117.80 1q80 s LEU 125 Ca 0.00 -1.13 -0.20 0.00 0.02 0.00 0.00 54.13 52.82 1q80 s LEU 125 Cb 0.00 -1.04 -0.06 0.00 0.02 0.00 0.00 46.19 45.11 1q80 s LEU 125 CO 0.00 -0.11 0.58 -0.62 0.02 0.00 0.00 176.35 176.22 1q80 s ASP 126 N -3.57 6.99 0.44 2.29 -1.08 -1.26 -3.52 116.67 116.95 1q80 s ASP 126 Ca 0.32 1.18 0.16 0.00 -0.52 0.00 0.00 52.55 53.69 1q80 s ASP 126 Cb -0.00 -2.36 1.08 0.00 -1.46 0.00 0.00 42.92 40.18 1q80 s ASP 126 CO 0.16 0.16 1.93 0.11 0.52 0.00 0.00 175.17 178.05 1q80 h LYS 127 N 5.31 0.37 -0.27 4.34 1.57 -1.95 -1.62 116.57 124.31 1q80 h LYS 127 Ca -0.47 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.37 1q80 h LYS 127 Cb 1.20 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1q80 h LYS 127 CO 0.68 0.24 0.25 1.79 -0.57 0.00 0.00 179.45 181.84 1q80 h THR 128 N 0.38 0.56 0.00 -0.16 1.35 -1.97 -2.24 112.91 110.82 1q80 h THR 128 Ca 0.36 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 66.04 1q80 h THR 128 Cb 0.85 0.80 -0.03 0.00 -1.73 0.00 0.00 68.15 68.05 1q80 h THR 128 CO -0.11 0.00 -0.84 -0.03 -0.25 0.00 0.00 175.52 174.29 1q80 h MET 129 N 0.00 0.00 -0.90 4.72 1.85 -1.71 -3.38 114.93 115.51 1q80 h MET 129 Ca 0.13 0.00 0.16 0.00 -0.61 0.00 0.00 59.70 59.38 1q80 h MET 129 Cb 0.64 0.00 -0.10 0.00 0.43 0.00 0.00 31.60 32.57 1q80 h MET 129 CO -0.00 0.84 0.48 0.00 -0.40 0.00 0.00 176.91 177.83 1q80 h ALA 130 N 1.16 1.39 -0.96 0.39 0.00 -1.50 -3.03 119.26 116.71 1q80 h ALA 130 Ca -0.01 0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.19 1q80 h ALA 130 Cb 1.53 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.18 1q80 h ALA 130 CO 0.11 -0.08 0.54 -1.35 0.00 0.00 0.00 179.25 178.47 1q80 h PRO 131 N 0.66 0.60 -0.93 0.00 0.11 -1.75 -0.50 132.00 130.19 1q80 h PRO 131 Ca 0.50 -0.04 0.16 0.00 0.11 0.00 0.00 66.00 66.74 1q80 h PRO 131 Cb 0.73 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 31.61 1q80 h PRO 131 CO -0.37 0.40 0.53 0.00 -0.21 0.00 0.00 178.00 178.35 1q80 h ALA 132 N 1.67 1.47 0.01 -0.75 0.00 -1.82 -0.75 119.26 119.09 1q80 h ALA 132 Ca 0.58 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 55.37 1q80 h ALA 132 Cb 0.99 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1q80 h ALA 132 CO -0.43 -0.04 -1.07 1.03 0.00 0.00 0.00 179.25 178.73 1q80 h SER 133 N 0.72 0.04 -0.12 0.00 0.87 -1.64 -3.32 113.55 110.11 1q80 h SER 133 Ca 0.52 -0.63 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1q80 h SER 133 Cb 0.74 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.63 1q80 h SER 133 CO -0.36 1.43 -0.50 0.15 -0.53 0.00 0.00 176.83 177.01 1q80 h PHE 134 N -0.92 -1.48 -0.39 2.24 3.57 -1.01 -1.08 116.94 117.88 1q80 h PHE 134 Ca -0.29 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.26 1q80 h PHE 134 Cb 1.31 0.66 -0.02 0.00 2.79 0.00 0.00 35.95 40.69 1q80 h PHE 134 CO 0.13 -0.53 0.22 -0.44 -2.23 0.00 0.00 178.31 175.46 1q80 h ASP 135 N -0.57 0.47 0.07 0.41 5.19 -1.38 -1.58 116.42 119.04 1q80 h ASP 135 Ca 0.05 -0.03 -0.11 0.00 -0.62 0.00 0.00 57.03 56.32 1q80 h ASP 135 Cb 0.67 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1q80 h ASP 135 CO -0.42 0.38 -0.38 0.00 -3.12 0.00 0.00 179.24 175.71 1q80 h ALA 136 N 1.70 1.01 -0.06 3.45 0.00 -1.57 -3.28 119.26 120.51 1q80 h ALA 136 Ca 0.14 -0.41 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 1q80 h ALA 136 Cb 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1q80 h ALA 136 CO -0.02 0.60 -0.88 0.82 0.00 0.00 0.00 179.25 179.77 1q80 h ILE 137 N 0.34 1.33 -0.02 0.00 2.04 -0.58 -3.42 117.51 117.20 1q80 h ILE 137 Ca 0.04 -2.21 -0.58 0.00 1.00 0.00 0.00 64.86 63.11 1q80 h ILE 137 Cb 0.82 2.23 0.10 0.00 -0.74 0.00 0.00 36.82 39.23 1q80 h ILE 137 CO 0.07 0.68 1.64 -0.67 0.00 0.00 0.00 178.15 179.86 1q80 n ASP 138 N -3.84 1.65 -0.26 1.72 2.03 -0.65 -4.67 116.55 112.52 1q80 n ASP 138 Ca -0.08 -2.57 -0.04 0.00 0.52 0.00 0.00 54.79 52.62 1q80 n ASP 138 Cb 0.80 -0.83 0.07 0.00 -0.72 0.00 0.00 41.12 40.44 1q80 n ASP 138 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1q80 h THR 139 N 4.93 1.15 0.00 5.18 2.02 -1.86 -3.03 112.91 121.30 1q80 h THR 139 Ca 0.31 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1q80 h THR 139 Cb 0.71 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1q80 h THR 139 CO 1.94 0.17 0.00 -0.46 0.37 0.00 0.00 175.52 177.54 1q80 n ASN 140 N -4.61 0.29 -2.23 4.18 6.94 -1.26 -4.99 115.26 113.58 1q80 n ASN 140 Ca 0.07 0.54 -0.12 0.00 -0.02 0.00 0.00 54.58 55.04 1q80 n ASN 140 Cb 0.04 -0.61 0.05 0.00 -2.36 0.00 0.00 39.78 36.90 1q80 n ASN 140 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1q80 n ASN 141 N -1.78 -3.74 0.00 0.53 5.15 -1.15 -5.01 115.26 109.26 1q80 n ASN 141 Ca 0.06 -0.31 0.11 0.00 -0.60 0.00 0.00 54.58 53.84 1q80 n ASN 141 Cb 0.34 -3.00 -0.01 0.00 -0.53 0.00 0.00 39.78 36.58 1q80 n ASN 141 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1q80 n ASP 142 N -1.31 0.83 -0.00 1.20 8.00 -1.26 -4.99 116.55 119.02 1q80 n ASP 142 Ca -0.04 -0.74 -0.00 0.00 0.71 0.00 0.00 54.79 54.72 1q80 n ASP 142 Cb 0.55 0.79 -0.00 0.00 -0.02 0.00 0.00 41.12 42.44 1q80 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q80 n GLY 143 N 1.49 0.50 3.06 0.44 0.00 -1.26 -5.04 105.19 104.38 1q80 n GLY 143 Ca 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1q80 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q80 s LEU 144 N -0.00 2.42 -0.36 0.99 2.01 -1.26 -4.53 118.68 117.95 1q80 s LEU 144 Ca 0.00 -0.86 -0.14 0.00 0.01 0.00 0.00 54.13 53.14 1q80 s LEU 144 Cb 0.00 0.17 -0.00 0.00 0.01 0.00 0.00 46.19 46.36 1q80 s LEU 144 CO 0.00 -0.52 0.26 -0.76 1.01 0.00 0.00 176.35 176.34 1q80 s LEU 145 N -2.53 4.72 0.66 1.79 1.43 0.27 -4.79 118.68 120.24 1q80 s LEU 145 Ca 0.01 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1q80 s LEU 145 Cb 0.03 -2.14 0.07 0.00 0.03 0.00 0.00 46.19 44.18 1q80 s LEU 145 CO -0.07 -0.31 0.93 -0.94 0.23 0.00 0.00 176.35 176.18 1q80 s SER 146 N 1.70 4.82 0.13 2.29 1.04 -1.26 -1.60 113.70 120.82 1q80 s SER 146 Ca 0.06 0.08 -0.19 0.00 0.48 0.00 0.00 55.95 56.37 1q80 s SER 146 Cb -0.18 -0.73 -0.02 0.00 0.10 0.00 0.00 66.02 65.19 1q80 s SER 146 CO 0.10 -1.53 1.74 0.25 0.98 0.00 0.00 173.24 174.78 1q80 h LEU 147 N -0.36 0.02 -0.53 2.42 5.85 -1.99 -2.36 115.31 118.36 1q80 h LEU 147 Ca -0.42 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.42 1q80 h LEU 147 Cb 1.29 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 1q80 h LEU 147 CO 0.52 0.04 0.16 -0.08 -0.34 0.00 0.00 178.44 178.74 1q80 h GLU 148 N 0.14 0.32 0.25 1.25 4.57 -1.99 -1.68 114.58 117.43 1q80 h GLU 148 Ca 0.10 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1q80 h GLU 148 Cb 0.10 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1q80 h GLU 148 CO -0.13 0.21 -0.14 0.93 -1.18 0.00 0.00 179.01 178.69 1q80 h GLU 149 N 0.33 -0.36 -0.39 1.92 3.07 -1.82 -1.48 114.58 115.84 1q80 h GLU 149 Ca 0.27 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.19 1q80 h GLU 149 Cb 0.33 0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 1q80 h GLU 149 CO -0.30 -0.24 0.17 0.35 -1.40 0.00 0.00 179.01 177.60 1q80 h PHE 150 N -0.37 0.32 -0.53 4.33 3.57 -1.29 -1.63 116.94 121.33 1q80 h PHE 150 Ca -0.03 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1q80 h PHE 150 Cb 0.30 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1q80 h PHE 150 CO -0.08 0.15 -0.09 -0.39 -2.23 0.00 0.00 178.31 175.68 1q80 h VAL 151 N 0.36 1.27 0.61 1.41 -1.51 -1.29 -1.48 116.25 115.62 1q80 h VAL 151 Ca 0.17 -1.24 -0.03 0.00 -1.23 0.00 0.00 66.70 64.37 1q80 h VAL 151 Cb 0.11 0.98 0.01 0.00 -2.13 0.00 0.00 31.29 30.25 1q80 h VAL 151 CO -0.14 0.44 -0.29 0.40 -1.23 0.00 0.00 177.57 176.74 1q80 h ILE 152 N 0.88 0.36 -0.58 7.19 2.04 -1.13 -0.58 117.51 125.68 1q80 h ILE 152 Ca 0.14 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1q80 h ILE 152 Cb 0.65 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1q80 h ILE 152 CO 0.05 0.02 0.31 0.00 0.00 0.00 0.00 178.15 178.53 1q80 h ALA 153 N -0.60 0.76 -0.28 1.87 0.00 -1.38 -1.74 119.26 117.89 1q80 h ALA 153 Ca -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1q80 h ALA 153 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1q80 h ALA 153 CO 0.14 -0.02 0.08 0.78 0.00 0.00 0.00 179.25 180.22 1q80 h GLY 154 N 0.59 0.47 0.14 0.00 0.00 -1.30 -1.67 103.07 101.29 1q80 h GLY 154 Ca 0.26 -0.29 0.14 0.00 0.00 0.00 0.00 47.33 47.44 1q80 h GLY 154 CO -0.17 0.27 0.24 0.23 0.00 0.00 0.00 176.54 177.11 1q80 h SER 155 N 0.28 0.18 0.24 0.19 0.87 -0.88 0.13 113.55 114.56 1q80 h SER 155 Ca 0.09 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1q80 h SER 155 Cb 0.27 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1q80 h SER 155 CO -0.00 0.07 -0.12 -0.78 -0.53 0.00 0.00 176.83 175.47 1q80 h ASP 156 N 0.38 -0.27 -0.21 6.23 3.58 -1.24 -1.17 116.42 123.71 1q80 h ASP 156 Ca 0.39 -0.17 0.06 0.00 0.42 0.00 0.00 57.03 57.72 1q80 h ASP 156 Cb 0.59 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.65 1q80 h ASP 156 CO -0.41 0.03 -0.19 0.15 -2.88 0.00 0.00 179.24 175.94 1q80 h PHE 157 N -0.59 -0.49 -0.04 0.28 3.04 -1.00 -1.05 116.94 117.08 1q80 h PHE 157 Ca -0.03 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.81 1q80 h PHE 157 Cb 0.43 0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 1q80 h PHE 157 CO 0.01 -0.27 -0.63 0.74 -2.02 0.00 0.00 178.31 176.15 1q80 h PHE 158 N -0.20 0.19 0.00 0.41 0.04 -1.06 -3.42 116.94 112.90 1q80 h PHE 158 Ca 0.13 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 1q80 h PHE 158 Cb 0.39 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1q80 h PHE 158 CO -0.34 0.73 -1.24 -1.33 -0.60 0.00 0.00 178.31 175.53 1q80 n MET 159 N -3.83 1.92 -2.69 1.51 2.81 -0.44 -4.98 117.12 111.41 1q80 n MET 159 Ca -0.02 0.01 -0.43 0.00 -1.81 0.00 0.00 57.70 55.45 1q80 n MET 159 Cb 0.63 -1.09 -0.03 0.00 -0.71 0.00 0.00 33.22 32.02 1q80 n MET 159 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1q80 s ASN 160 N -3.88 6.79 -0.01 7.83 2.47 -0.40 -4.95 114.94 122.79 1q80 s ASN 160 Ca -0.04 0.78 0.00 0.00 0.42 0.00 0.00 52.86 54.03 1q80 s ASN 160 Cb 0.01 -2.52 0.03 0.00 -1.45 0.00 0.00 41.25 37.33 1q80 s ASN 160 CO 0.12 -0.93 0.83 -0.67 -3.72 0.00 0.00 177.10 172.73 1q80 n ASP 161 N 6.99 2.24 -3.45 -4.21 2.03 -1.26 -4.68 116.55 114.21 1q80 n ASP 161 Ca 0.10 -2.05 -0.15 0.00 0.52 0.00 0.00 54.79 53.22 1q80 n ASP 161 Cb 0.48 -0.51 0.08 0.00 -0.72 0.00 0.00 41.12 40.45 1q80 n ASP 161 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q80 n GLY 162 N 0.26 0.29 0.00 0.27 0.00 -1.26 -4.79 105.19 99.96 1q80 n GLY 162 Ca 0.02 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1q80 n GLY 162 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q80 n ASP 163 N -3.06 0.00 -0.55 1.61 -0.08 -1.26 -4.88 116.55 108.33 1q80 n ASP 163 Ca 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 1q80 n ASP 163 Cb 0.35 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.81 1q80 n ASP 163 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1q80 n SER 164 N 0.00 -3.92 0.09 1.67 2.88 -1.26 -4.00 113.62 109.07 1q80 n SER 164 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1q80 n SER 164 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1q80 n SER 164 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q80 h THR 165 N 0.00 1.48 -0.06 2.46 1.03 -1.98 -3.35 112.91 112.49 1q80 h THR 165 Ca 0.00 -3.03 0.00 0.00 -0.01 0.00 0.00 66.41 63.37 1q80 h THR 165 Cb 0.00 2.69 0.00 0.00 -1.07 0.00 0.00 68.15 69.77 1q80 h THR 165 CO 0.00 0.83 0.00 0.59 -0.01 0.00 0.00 175.52 176.93 1q80 n ASN 166 N -3.34 0.70 0.09 0.00 4.13 -1.26 -4.03 115.26 111.54 1q80 n ASN 166 Ca 0.00 -2.03 0.13 0.00 1.68 0.00 0.00 54.58 54.37 1q80 n ASN 166 Cb 0.86 -0.21 0.44 0.00 -1.54 0.00 0.00 39.78 39.34 1q80 n ASN 166 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1q80 n LYS 167 N -0.19 0.22 -3.65 3.52 2.85 -1.26 -4.00 118.16 115.65 1q80 n LYS 167 Ca 0.02 0.19 -0.37 0.00 -1.05 0.00 0.00 58.31 57.09 1q80 n LYS 167 Cb 0.15 -1.76 -0.08 0.00 -0.65 0.00 0.00 35.03 32.70 1q80 n LYS 167 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1q80 s VAL 168 N -3.09 4.15 -2.32 0.58 1.01 -1.26 -4.84 120.40 114.64 1q80 s VAL 168 Ca 0.11 -3.29 0.24 0.00 0.00 0.00 0.00 61.98 59.04 1q80 s VAL 168 Cb 0.13 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 32.97 1q80 s VAL 168 CO 0.58 -0.98 1.21 0.33 0.00 0.00 0.00 175.10 176.24 1q80 n PHE 169 N 3.06 0.00 -1.77 5.22 7.35 -1.26 -4.84 117.46 125.22 1q80 n PHE 169 Ca 0.14 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.84 1q80 n PHE 169 Cb 0.38 -0.01 0.01 0.00 0.35 0.00 0.00 39.48 40.21 1q80 n PHE 169 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 1q80 n TRP 170 N 0.34 0.00 -0.93 -5.13 7.02 -1.26 -5.09 117.44 112.39 1q80 n TRP 170 Ca 0.11 -0.08 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1q80 n TRP 170 Cb 0.49 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 29.33 1q80 n TRP 170 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1q80 n GLY 171 N -0.11 -0.96 3.72 6.99 0.00 -1.26 -4.98 105.19 108.59 1q80 n GLY 171 Ca 0.01 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 1q80 n GLY 171 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1q80 n PRO 172 N 0.00 2.48 -2.27 1.61 -0.02 -1.26 -4.90 135.00 130.64 1q80 n PRO 172 Ca 0.00 0.88 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 1q80 n PRO 172 Cb 0.00 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 30.84 1q80 n PRO 172 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1q80 s LEU 173 N -0.47 4.28 0.00 2.45 1.43 -1.26 -4.96 118.68 120.16 1q80 s LEU 173 Ca 0.64 1.99 0.20 0.00 -1.03 0.00 0.00 54.13 55.92 1q80 s LEU 173 Cb -0.54 -3.55 1.17 0.00 0.03 0.00 0.00 46.19 43.30 1q80 s LEU 173 CO 0.51 -0.74 1.56 1.33 0.23 0.00 0.00 176.35 179.24