#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 -0.01 -0.59 6.43 3.58 -2.03 -1.58 116.42 122.21 1q80 h ASP 2 Ca 0.00 0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.58 1q80 h ASP 2 Cb 0.00 0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 1q80 h ASP 2 CO 0.00 0.01 0.36 -0.07 -2.88 0.00 0.00 179.24 176.67 1q80 h LEU 3 N 0.24 0.60 0.01 2.28 3.38 -1.98 0.13 115.31 119.97 1q80 h LEU 3 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1q80 h LEU 3 Cb 0.41 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1q80 h LEU 3 CO -0.37 0.42 -0.00 -0.25 0.09 0.00 0.00 178.44 178.32 1q80 h TRP 4 N 0.72 -0.01 -0.35 1.13 7.01 -1.92 -1.39 115.95 121.15 1q80 h TRP 4 Ca 0.24 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.24 1q80 h TRP 4 Cb 0.01 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 1q80 h TRP 4 CO -0.05 0.26 0.23 0.28 -2.79 0.00 0.00 178.44 176.36 1q80 h VAL 5 N -0.27 1.08 -0.50 2.65 2.07 -1.18 -2.58 116.25 117.52 1q80 h VAL 5 Ca -0.00 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1q80 h VAL 5 Cb 0.27 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1q80 h VAL 5 CO 0.00 0.08 -0.05 -0.61 0.02 0.00 0.00 177.57 177.02 1q80 h GLN 6 N 0.46 0.92 -0.13 1.57 5.75 -0.76 0.31 115.11 123.23 1q80 h GLN 6 Ca 0.13 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1q80 h GLN 6 Cb -0.05 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1q80 h GLN 6 CO -0.03 0.97 0.06 1.57 -2.65 0.00 0.00 178.83 178.75 1q80 h LYS 7 N 0.78 0.19 -0.36 1.69 2.10 -1.26 -0.32 116.57 119.40 1q80 h LYS 7 Ca 0.14 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.75 1q80 h LYS 7 Cb 0.59 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.87 1q80 h LYS 7 CO 0.04 0.26 0.19 0.52 -2.00 0.00 0.00 179.45 178.46 1q80 h MET 8 N 0.08 0.49 -0.26 0.07 2.86 -1.48 -2.03 114.93 114.66 1q80 h MET 8 Ca 0.05 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1q80 h MET 8 Cb 0.14 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1q80 h MET 8 CO -0.01 0.37 -0.24 0.87 1.06 0.00 0.00 176.91 178.97 1q80 h LYS 9 N 0.50 0.61 0.10 1.72 1.57 -0.57 0.51 116.57 121.01 1q80 h LYS 9 Ca 0.13 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1q80 h LYS 9 Cb 0.03 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1q80 h LYS 9 CO -0.02 0.91 -0.05 0.00 -0.57 0.00 0.00 179.45 179.72 1q80 h THR 10 N 0.33 0.89 -0.79 -0.16 1.03 -0.79 -1.18 112.91 112.24 1q80 h THR 10 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.44 1q80 h THR 10 Cb 0.79 0.89 -0.04 0.00 -1.07 0.00 0.00 68.15 68.73 1q80 h THR 10 CO 0.06 0.00 0.50 0.22 -0.01 0.00 0.00 175.52 176.29 1q80 h TYR 11 N -0.14 1.02 0.34 0.00 3.20 -1.41 -1.25 116.97 118.73 1q80 h TYR 11 Ca -0.01 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1q80 h TYR 11 Cb 0.11 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.04 1q80 h TYR 11 CO -0.07 0.66 -0.16 0.35 -1.64 0.00 0.00 178.16 177.30 1q80 h PHE 12 N 1.08 -0.42 -0.76 -3.82 3.04 -0.82 -1.03 116.94 114.21 1q80 h PHE 12 Ca 0.29 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 1q80 h PHE 12 Cb -0.08 0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.53 1q80 h PHE 12 CO -0.01 -0.18 0.38 -0.97 -2.02 0.00 0.00 178.31 175.50 1q80 h ASN 13 N -0.59 0.98 0.66 0.41 -0.73 -1.23 -1.47 115.58 113.61 1q80 h ASN 13 Ca -0.05 -0.13 -0.19 0.00 1.87 0.00 0.00 56.30 57.81 1q80 h ASN 13 Cb 0.43 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 1q80 h ASN 13 CO 0.08 0.83 -0.87 0.03 -0.37 0.00 0.00 177.43 177.13 1q80 h ARG 14 N 1.06 0.14 -0.15 6.67 3.08 -1.27 -3.27 114.38 120.64 1q80 h ARG 14 Ca 0.26 -0.15 -0.18 0.00 0.07 0.00 0.00 59.98 59.97 1q80 h ARG 14 Cb 0.10 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1q80 h ARG 14 CO -0.04 0.92 -0.65 0.97 -1.07 0.00 0.00 179.97 180.10 1q80 h ILE 15 N 0.08 1.33 0.00 2.04 6.09 -1.15 -3.37 117.51 122.53 1q80 h ILE 15 Ca -0.03 -1.94 -0.58 0.00 -1.37 0.00 0.00 64.86 60.94 1q80 h ILE 15 Cb 1.50 1.92 0.03 0.00 0.47 0.00 0.00 36.82 40.74 1q80 h ILE 15 CO 0.13 0.60 2.48 -0.67 -3.07 0.00 0.00 178.15 177.62 1q80 n ASP 16 N -3.92 3.43 -0.08 2.19 2.03 -0.56 -4.56 116.55 115.10 1q80 n ASP 16 Ca -0.04 -2.58 0.00 0.00 0.52 0.00 0.00 54.79 52.68 1q80 n ASP 16 Cb 0.67 -1.16 0.29 0.00 -0.72 0.00 0.00 41.12 40.20 1q80 n ASP 16 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1q80 h PHE 17 N 7.23 0.70 -0.01 -0.67 -1.00 -1.78 -2.75 116.94 118.67 1q80 h PHE 17 Ca 0.46 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.21 1q80 h PHE 17 Cb 0.51 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.85 1q80 h PHE 17 CO 1.48 0.55 0.00 -0.40 -1.61 0.00 0.00 178.31 178.33 1q80 n ASP 18 N -4.35 0.09 -2.92 2.17 5.68 -1.26 -4.96 116.55 110.99 1q80 n ASP 18 Ca 0.04 -1.26 -0.17 0.00 -0.50 0.00 0.00 54.79 52.89 1q80 n ASP 18 Cb 0.15 -0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1q80 n ASP 18 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1q80 n LYS 19 N -0.82 -2.92 0.21 0.11 -0.00 -1.04 -4.92 118.16 108.78 1q80 n LYS 19 Ca 0.18 0.50 0.10 0.00 -0.00 0.00 0.00 58.31 59.09 1q80 n LYS 19 Cb 0.10 -5.15 0.23 0.00 -0.00 0.00 0.00 35.03 30.21 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 -0.52 0.00 0.00 -5.58 1.82 -1.94 -3.48 116.42 106.73 1q80 h ASP 20 Ca -0.35 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 1q80 h ASP 20 Cb 1.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.25 1q80 h ASP 20 CO 0.42 0.15 0.00 0.61 -1.61 0.00 0.00 179.24 178.81 1q80 n GLY 21 N 0.89 0.53 2.85 -0.78 0.00 -1.26 -5.09 105.19 102.33 1q80 n GLY 21 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.13 0.28 -0.26 4.61 0.00 -1.26 -3.97 121.76 119.03 1q80 s ALA 22 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 1q80 s ALA 22 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 1q80 s ALA 22 CO 0.00 -0.02 1.25 0.42 0.00 0.00 0.00 175.76 177.41 1q80 s ILE 23 N 0.61 4.26 0.21 0.00 -1.09 0.27 -4.58 121.20 120.88 1q80 s ILE 23 Ca -0.06 1.46 -0.00 0.00 -2.23 0.00 0.00 60.65 59.81 1q80 s ILE 23 Cb -0.09 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 1q80 s ILE 23 CO -0.01 -0.37 0.13 0.28 -1.23 0.00 0.00 174.94 173.74 1q80 s THR 24 N 3.99 0.09 0.45 2.92 -1.32 -1.26 -1.40 115.64 119.10 1q80 s THR 24 Ca 0.54 -2.00 0.20 0.00 -1.21 0.00 0.00 61.69 59.22 1q80 s THR 24 Cb -0.17 -2.52 0.39 0.00 -1.51 0.00 0.00 72.50 68.69 1q80 s THR 24 CO 0.19 0.00 1.89 -0.09 -2.21 0.00 0.00 174.62 174.40 1q80 h ARG 25 N 2.56 0.30 -1.00 7.08 2.43 -1.95 -2.58 114.38 121.23 1q80 h ARG 25 Ca -0.36 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 58.86 1q80 h ARG 25 Cb 1.25 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.66 1q80 h ARG 25 CO 0.54 0.20 0.64 0.52 -1.51 0.00 0.00 179.97 180.35 1q80 h MET 26 N 0.31 1.13 -0.35 0.20 2.86 -1.98 -1.62 114.93 115.48 1q80 h MET 26 Ca 0.41 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.96 1q80 h MET 26 Cb 1.14 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1q80 h MET 26 CO -0.12 0.75 0.11 0.38 1.06 0.00 0.00 176.91 179.09 1q80 h ASP 27 N 1.17 0.50 -0.37 1.22 3.04 -1.78 -1.21 116.42 118.99 1q80 h ASP 27 Ca 0.43 -0.20 -0.02 0.00 -3.24 0.00 0.00 57.03 54.00 1q80 h ASP 27 Cb 0.17 -0.13 -0.02 0.00 -1.04 0.00 0.00 39.33 38.31 1q80 h ASP 27 CO -0.17 0.57 0.16 -0.26 -2.04 0.00 0.00 179.24 177.50 1q80 h PHE 28 N 0.41 0.54 -0.37 4.15 0.04 -1.59 0.14 116.94 120.26 1q80 h PHE 28 Ca 0.11 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 1q80 h PHE 28 Cb 0.25 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1q80 h PHE 28 CO 0.01 0.48 0.17 0.93 -0.60 0.00 0.00 178.31 179.30 1q80 h GLU 29 N 0.45 0.54 -0.11 1.51 5.08 -1.31 -1.52 114.58 119.21 1q80 h GLU 29 Ca 0.12 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1q80 h GLU 29 Cb 0.15 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1q80 h GLU 29 CO -0.01 0.49 0.07 0.77 -1.00 0.00 0.00 179.01 179.33 1q80 h SER 30 N 0.46 0.13 0.00 1.42 0.02 -1.12 -2.62 113.55 111.85 1q80 h SER 30 Ca 0.13 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1q80 h SER 30 Cb 0.14 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1q80 h SER 30 CO -0.01 0.11 -0.23 -0.03 -1.14 0.00 0.00 176.83 175.53 1q80 h MET 31 N 0.14 -0.35 -0.37 3.45 1.85 -0.69 -1.58 114.93 117.38 1q80 h MET 31 Ca 0.04 0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.23 1q80 h MET 31 Cb -0.00 0.08 -0.07 0.00 0.43 0.00 0.00 31.60 32.04 1q80 h MET 31 CO -0.01 -0.23 -0.08 0.00 -0.40 0.00 0.00 176.91 176.19 1q80 h ALA 32 N 0.50 0.26 -0.22 0.39 0.00 -1.22 0.50 119.26 119.47 1q80 h ALA 32 Ca 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1q80 h ALA 32 Cb 0.44 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1q80 h ALA 32 CO -0.20 -0.45 0.12 1.49 0.00 0.00 0.00 179.25 180.21 1q80 h GLU 33 N 0.01 0.32 -0.62 0.00 4.22 -1.39 -1.51 114.58 115.61 1q80 h GLU 33 Ca 0.18 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.52 1q80 h GLU 33 Cb 0.27 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1q80 h GLU 33 CO -0.37 0.31 0.17 0.00 -2.18 0.00 0.00 179.01 176.94 1q80 h ARG 34 N 0.25 0.98 -0.07 1.92 2.47 -1.06 -1.15 114.38 117.72 1q80 h ARG 34 Ca 0.08 -0.22 0.01 0.00 -1.26 0.00 0.00 59.98 58.58 1q80 h ARG 34 Cb 0.09 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 1q80 h ARG 34 CO -0.01 0.88 0.03 0.74 0.56 0.00 0.00 179.97 182.17 1q80 h PHE 35 N 0.91 0.05 -0.60 3.04 -1.00 -0.87 -2.55 116.94 115.92 1q80 h PHE 35 Ca 0.20 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.91 1q80 h PHE 35 Cb 0.32 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 1q80 h PHE 35 CO 0.02 0.03 0.10 0.00 -1.61 0.00 0.00 178.31 176.85 1q80 h ALA 36 N 1.04 0.79 -0.45 2.45 0.00 -1.20 -3.16 119.26 118.73 1q80 h ALA 36 Ca 0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1q80 h ALA 36 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1q80 h ALA 36 CO -0.03 0.54 -0.04 -0.22 0.00 0.00 0.00 179.25 179.50 1q80 h LYS 37 N 0.89 0.83 0.00 0.00 3.11 -1.20 -3.36 116.57 116.83 1q80 h LYS 37 Ca 0.18 -0.28 -0.05 0.00 -2.81 0.00 0.00 60.65 57.68 1q80 h LYS 37 Cb 0.42 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 1q80 h LYS 37 CO 0.01 0.90 -0.71 1.49 -2.81 0.00 0.00 179.45 178.34 1q80 h GLU 38 N 0.67 0.00 -5.82 1.90 4.57 -1.55 -3.49 114.58 110.85 1q80 h GLU 38 Ca 0.12 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.68 1q80 h GLU 38 Cb 0.56 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.02 1q80 h GLU 38 CO 0.03 0.15 -0.65 -1.12 -1.18 0.00 0.00 179.01 176.25 1q80 s SER 39 N -5.89 3.77 0.10 1.04 0.01 -1.19 -5.00 113.70 106.53 1q80 s SER 39 Ca 0.02 -1.27 0.01 0.00 1.31 0.00 0.00 55.95 56.03 1q80 s SER 39 Cb 0.08 -0.37 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 1q80 s SER 39 CO 0.75 -0.30 0.21 -0.70 0.41 0.00 0.00 173.24 173.61 1q80 s GLU 40 N -3.65 3.34 0.00 12.44 2.56 -1.26 -4.86 118.70 127.26 1q80 s GLU 40 Ca 0.33 -0.55 0.00 0.00 0.00 0.00 0.00 54.97 54.76 1q80 s GLU 40 Cb 0.05 -2.95 0.00 0.00 2.00 0.00 0.00 34.13 33.23 1q80 s GLU 40 CO 0.17 0.57 0.00 -1.33 -0.56 0.00 0.00 175.26 174.11 1q80 n MET 41 N 0.01 0.00 -3.59 4.30 2.81 -1.26 -5.04 117.12 114.35 1q80 n MET 41 Ca -0.06 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.43 1q80 n MET 41 Cb 0.52 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.94 1q80 n MET 41 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1q80 s LYS 42 N 2.54 2.44 0.00 0.03 2.47 -0.97 -4.55 119.74 121.69 1q80 s LYS 42 Ca 0.00 -1.84 0.00 0.00 -1.56 0.00 0.00 55.97 52.57 1q80 s LYS 42 Cb 0.00 -3.88 0.00 0.00 -1.46 0.00 0.00 37.83 32.49 1q80 s LYS 42 CO 0.00 -1.18 0.00 0.00 0.16 0.00 0.00 175.35 174.33 1q80 n ALA 43 N 4.76 0.00 0.15 3.13 0.00 -1.26 -1.52 120.51 125.77 1q80 n ALA 43 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.48 1q80 n ALA 43 Cb 0.41 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 -1.45 0.00 4.39 -2.00 -3.47 114.58 112.06 1q80 h GLU 44 Ca 0.00 0.00 0.42 0.00 0.34 0.00 0.00 59.36 60.12 1q80 h GLU 44 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1q80 h GLU 44 CO 0.00 0.00 1.15 0.45 -1.16 0.00 0.00 179.01 179.45 1q80 h HIS 45 N 0.00 0.00 -0.84 4.33 3.86 -1.64 -0.98 115.15 119.89 1q80 h HIS 45 Ca 0.16 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1q80 h HIS 45 Cb 2.30 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 30.73 1q80 h HIS 45 CO 0.00 0.00 0.49 0.00 0.86 0.00 0.00 177.93 179.28 1q80 h ALA 46 N 1.06 1.28 0.44 2.45 0.00 -1.91 -0.95 119.26 121.63 1q80 h ALA 46 Ca 0.69 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 1q80 h ALA 46 Cb 2.97 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 20.43 1q80 h ALA 46 CO -0.01 0.61 -0.21 0.87 0.00 0.00 0.00 179.25 180.51 1q80 h LYS 47 N 1.16 -0.57 -0.68 0.00 6.56 -1.60 -2.38 116.57 119.06 1q80 h LYS 47 Ca 0.30 0.04 0.15 0.00 -1.06 0.00 0.00 60.65 60.07 1q80 h LYS 47 Cb -0.02 0.13 -0.12 0.00 -0.57 0.00 0.00 32.23 31.65 1q80 h LYS 47 CO -0.05 -0.31 -0.02 0.28 -2.06 0.00 0.00 179.45 177.28 1q80 h VAL 48 N -0.73 0.41 0.11 0.50 2.07 -1.57 0.93 116.25 117.97 1q80 h VAL 48 Ca -0.06 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1q80 h VAL 48 Cb 0.52 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1q80 h VAL 48 CO 0.10 0.02 -0.08 0.25 0.02 0.00 0.00 177.57 177.88 1q80 h LEU 49 N 0.09 -0.20 -0.25 2.57 5.85 -1.22 -0.99 115.31 121.17 1q80 h LEU 49 Ca 0.36 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 1q80 h LEU 49 Cb 0.59 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1q80 h LEU 49 CO -0.60 -0.13 0.14 -0.03 -0.34 0.00 0.00 178.44 177.47 1q80 h MET 50 N -0.19 0.34 -0.38 1.25 4.05 -0.80 -1.16 114.93 118.04 1q80 h MET 50 Ca -0.01 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1q80 h MET 50 Cb 0.17 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1q80 h MET 50 CO 0.00 0.31 0.21 -0.44 0.23 0.00 0.00 176.91 177.21 1q80 h ASP 51 N 0.29 0.48 0.50 1.39 3.32 -0.89 -1.56 116.42 119.96 1q80 h ASP 51 Ca 0.09 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1q80 h ASP 51 Cb 0.06 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1q80 h ASP 51 CO -0.01 0.44 -0.24 0.28 -1.72 0.00 0.00 179.24 177.99 1q80 h SER 52 N 0.49 -0.57 -0.62 6.45 0.02 -1.15 -1.15 113.55 117.03 1q80 h SER 52 Ca 0.13 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1q80 h SER 52 Cb 0.07 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1q80 h SER 52 CO -0.02 -0.33 0.40 -0.07 -1.14 0.00 0.00 176.83 175.67 1q80 h LEU 53 N -0.78 0.68 -0.90 5.07 3.38 -1.24 -1.52 115.31 120.00 1q80 h LEU 53 Ca -0.07 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1q80 h LEU 53 Cb 0.56 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1q80 h LEU 53 CO 0.11 0.49 0.46 0.71 0.09 0.00 0.00 178.44 180.30 1q80 h THR 54 N 0.81 1.26 -0.70 0.22 1.35 -1.33 -2.92 112.91 111.61 1q80 h THR 54 Ca 0.23 -0.68 -0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1q80 h THR 54 Cb -0.06 0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 66.42 1q80 h THR 54 CO -0.07 0.30 0.44 1.23 -0.25 0.00 0.00 175.52 177.17 1q80 h GLY 55 N 1.24 1.00 0.29 5.82 0.00 -0.51 -1.53 103.07 109.40 1q80 h GLY 55 Ca 0.31 -0.40 0.10 0.00 0.00 0.00 0.00 47.33 47.34 1q80 h GLY 55 CO -0.04 0.39 0.15 -2.08 0.00 0.00 0.00 176.54 174.95 1q80 h VAL 56 N 0.96 0.70 0.05 4.60 2.07 -1.10 -0.22 116.25 123.32 1q80 h VAL 56 Ca 0.25 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 1q80 h VAL 56 Cb -0.06 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1q80 h VAL 56 CO -0.05 0.05 -0.02 -0.25 0.02 0.00 0.00 177.57 177.32 1q80 h TRP 57 N 0.29 -0.06 -0.86 1.57 2.91 -1.59 -2.92 115.95 115.30 1q80 h TRP 57 Ca 0.29 -0.00 0.20 0.00 1.13 0.00 0.00 58.89 60.51 1q80 h TRP 57 Cb 0.40 0.02 -0.12 0.00 -0.51 0.00 0.00 29.16 28.95 1q80 h TRP 57 CO -0.22 -0.04 0.34 -0.44 -1.03 0.00 0.00 178.44 177.06 1q80 h ASP 58 N -1.01 0.26 0.28 2.65 3.32 -1.27 -2.98 116.42 117.67 1q80 h ASP 58 Ca -0.01 0.15 -0.28 0.00 0.02 0.00 0.00 57.03 56.91 1q80 h ASP 58 Cb 0.05 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 1q80 h ASP 58 CO 0.01 0.00 -1.97 0.59 -1.72 0.00 0.00 179.24 176.15 1q80 n ASN 59 N -5.06 0.43 0.00 6.45 4.13 -0.10 -4.73 115.26 116.38 1q80 n ASN 59 Ca 0.20 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.66 1q80 n ASN 59 Cb 0.60 0.59 0.00 0.00 -1.54 0.00 0.00 39.78 39.42 1q80 n ASN 59 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1q80 n PHE 60 N -2.83 0.00 0.00 3.10 3.72 -1.10 -4.86 117.46 115.49 1q80 n PHE 60 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 1q80 n PHE 60 Cb 1.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 1q80 n PHE 60 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 1q80 n LEU 61 N 0.00 0.00 -0.06 4.37 -0.00 -1.23 -4.08 117.00 115.99 1q80 n LEU 61 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 1q80 n LEU 61 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1q80 n LEU 61 CO 0.00 0.00 0.48 0.74 -0.00 0.00 0.00 177.39 178.61 1q80 h THR 62 N 0.00 1.32 0.00 1.47 2.02 -1.81 -3.18 112.91 112.73 1q80 h THR 62 Ca 0.00 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.56 1q80 h THR 62 Cb 0.00 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1q80 h THR 62 CO 0.00 0.50 0.00 0.00 0.37 0.00 0.00 175.52 176.39 1q80 n ALA 63 N -2.52 1.67 0.14 6.16 0.00 -1.26 -2.70 120.51 121.99 1q80 n ALA 63 Ca -0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 1q80 n ALA 63 Cb 0.53 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 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 0.00 -0.77 0.00 2.07 -1.93 -3.33 116.25 112.29 1q80 h VAL 64 Ca 0.00 -0.23 -0.27 0.00 0.82 0.00 0.00 66.70 67.02 1q80 h VAL 64 Cb 0.21 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.82 1q80 h VAL 64 CO 0.00 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.92 1q80 n ALA 65 N -2.37 4.74 -1.11 1.67 0.00 -1.26 -4.99 120.51 117.20 1q80 n ALA 65 Ca -0.05 -2.48 -0.08 0.00 0.00 0.00 0.00 53.44 50.84 1q80 n ALA 65 Cb 0.15 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.37 0.73 0.00 0.00 0.00 -1.10 -3.28 105.19 101.17 1q80 n GLY 66 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.05 2.73 3.80 -0.02 0.00 -1.16 -4.97 105.19 105.52 1q80 n GLY 67 Ca -0.08 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 3.47 1.50 1.61 1.02 -1.21 -4.98 119.74 121.15 1q80 s LYS 68 Ca 0.00 1.24 -0.25 0.00 0.02 0.00 0.00 55.97 56.98 1q80 s LYS 68 Cb 0.00 -2.05 0.39 0.00 -0.52 0.00 0.00 37.83 35.65 1q80 s LYS 68 CO 0.00 -0.69 0.88 0.20 -0.92 0.00 0.00 175.35 174.82 1q80 s GLY 69 N -2.58 1.36 -0.19 -3.33 0.00 -1.26 -4.58 107.32 96.74 1q80 s GLY 69 Ca 0.64 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.49 1q80 s GLY 69 CO 0.32 0.19 -0.11 -0.42 0.00 0.00 0.00 173.10 173.08 1q80 s ILE 70 N -2.12 1.63 0.95 0.90 -1.09 -0.49 -4.81 121.20 116.17 1q80 s ILE 70 Ca 0.68 -0.97 -0.12 0.00 -2.23 0.00 0.00 60.65 58.01 1q80 s ILE 70 Cb -0.12 -1.69 0.16 0.00 -1.58 0.00 0.00 42.46 39.23 1q80 s ILE 70 CO 0.57 0.19 1.11 1.51 -1.23 0.00 0.00 174.94 177.10 1q80 s ASP 71 N 1.41 3.10 0.24 3.58 1.47 -1.26 -0.56 116.67 124.65 1q80 s ASP 71 Ca -0.01 1.08 -0.06 0.00 1.18 0.00 0.00 52.55 54.75 1q80 s ASP 71 Cb -0.16 -1.71 0.30 0.00 -0.34 0.00 0.00 42.92 41.01 1q80 s ASP 71 CO -0.08 -2.82 1.89 -0.08 0.68 0.00 0.00 175.17 174.76 1q80 h GLU 72 N -1.68 1.12 0.22 2.11 4.81 -2.00 0.61 114.58 119.77 1q80 h GLU 72 Ca -0.52 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1q80 h GLU 72 Cb 1.33 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1q80 h GLU 72 CO 0.60 0.74 -0.19 1.15 -0.73 0.00 0.00 179.01 180.58 1q80 h THR 73 N 1.15 0.58 -0.76 0.32 2.02 -1.95 -1.05 112.91 113.22 1q80 h THR 73 Ca 0.37 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.51 1q80 h THR 73 Cb 0.02 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1q80 h THR 73 CO -0.13 0.00 0.32 0.71 0.37 0.00 0.00 175.52 176.79 1q80 h THR 74 N -0.43 1.25 -0.23 3.16 1.35 -1.90 -0.39 112.91 115.72 1q80 h THR 74 Ca -0.01 -0.78 -0.01 0.00 -0.55 0.00 0.00 66.41 65.06 1q80 h THR 74 Cb 0.40 0.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 1q80 h THR 74 CO -0.03 0.32 0.09 0.15 -0.25 0.00 0.00 175.52 175.80 1q80 h PHE 75 N 1.09 0.36 -0.00 4.73 3.57 -0.76 0.12 116.94 126.05 1q80 h PHE 75 Ca 0.26 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1q80 h PHE 75 Cb 0.19 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 1q80 h PHE 75 CO 0.02 0.38 0.00 0.82 -2.23 0.00 0.00 178.31 177.30 1q80 h ILE 76 N 0.23 1.17 0.54 1.41 5.03 -1.12 -1.44 117.51 123.33 1q80 h ILE 76 Ca 0.08 -0.49 -0.02 0.00 -0.12 0.00 0.00 64.86 64.30 1q80 h ILE 76 Cb 0.18 1.50 0.00 0.00 -3.03 0.00 0.00 36.82 35.47 1q80 h ILE 76 CO -0.01 0.13 -0.29 -1.13 -0.68 0.00 0.00 178.15 176.17 1q80 h ASN 77 N -0.20 -0.72 -0.73 1.72 -0.00 -1.08 -1.28 115.58 113.29 1q80 h ASN 77 Ca 0.00 0.03 0.06 0.00 -0.00 0.00 0.00 56.30 56.40 1q80 h ASN 77 Cb 0.21 0.20 -0.06 0.00 -0.00 0.00 0.00 38.32 38.67 1q80 h ASN 77 CO -0.00 -0.48 0.42 0.77 -0.00 0.00 0.00 177.43 178.14 1q80 h SER 78 N -0.78 0.62 -0.15 1.15 4.64 -0.83 -2.01 113.55 116.20 1q80 h SER 78 Ca -0.07 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1q80 h SER 78 Cb 0.61 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1q80 h SER 78 CO 0.09 0.39 -0.23 0.24 -0.87 0.00 0.00 176.83 176.46 1q80 h MET 79 N 0.75 0.42 -0.23 4.77 2.86 -1.26 -1.39 114.93 120.85 1q80 h MET 79 Ca 0.33 -0.25 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1q80 h MET 79 Cb 0.21 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1q80 h MET 79 CO -0.19 0.84 0.00 -0.22 1.06 0.00 0.00 176.91 178.40 1q80 h LYS 80 N 0.03 0.07 0.20 1.72 1.63 -1.12 -2.58 116.57 116.52 1q80 h LYS 80 Ca 0.01 -0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.54 1q80 h LYS 80 Cb 0.81 -0.02 0.03 0.00 -0.60 0.00 0.00 32.23 32.45 1q80 h LYS 80 CO 0.05 0.05 -1.17 0.93 -3.45 0.00 0.00 179.45 175.86 1q80 h GLU 81 N 0.08 0.44 0.00 1.90 3.07 -1.50 -3.36 114.58 115.20 1q80 h GLU 81 Ca 0.11 -0.74 -0.02 0.00 -0.50 0.00 0.00 59.36 58.21 1q80 h GLU 81 Cb 0.14 0.27 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1q80 h GLU 81 CO -0.18 1.35 -0.11 0.52 -1.40 0.00 0.00 179.01 179.19 1q80 h MET 82 N -0.09 0.00 0.00 2.33 2.86 -1.27 -2.69 114.93 116.07 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 1.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.58 1q80 h MET 82 CO 0.22 0.11 0.00 -0.39 1.06 0.00 0.00 176.91 177.91 1q80 h VAL 83 N 0.00 0.00 0.00 -2.22 -1.51 -1.60 -3.21 116.25 107.70 1q80 h VAL 83 Ca -0.00 -0.49 -0.18 0.00 -1.23 0.00 0.00 66.70 64.80 1q80 h VAL 83 Cb 0.24 1.49 -0.03 0.00 -2.13 0.00 0.00 31.29 30.87 1q80 h VAL 83 CO 0.01 0.00 -0.86 0.11 -1.23 0.00 0.00 177.57 175.60 1q80 h LYS 84 N 0.00 0.00 -6.46 5.19 1.57 -1.67 -3.48 116.57 111.72 1q80 h LYS 84 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1q80 h LYS 84 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1q80 h LYS 84 CO 0.00 0.83 0.75 1.21 -0.57 0.00 0.00 179.45 181.67 1q80 s ASN 85 N -6.61 6.87 0.59 0.86 3.84 -1.21 -4.99 114.94 114.29 1q80 s ASN 85 Ca 0.02 2.19 0.36 0.00 0.21 0.00 0.00 52.86 55.64 1q80 s ASN 85 Cb 0.09 -2.57 1.80 0.00 -0.55 0.00 0.00 41.25 40.01 1q80 s ASN 85 CO 0.80 -0.66 2.16 1.55 -2.79 0.00 0.00 177.10 178.15 1q80 h PRO 86 N 7.28 0.00 0.00 0.43 0.13 -1.91 -3.34 132.00 134.59 1q80 h PRO 86 Ca -0.40 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.38 1q80 h PRO 86 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1q80 h PRO 86 CO 0.87 0.03 -2.33 0.39 -0.23 0.00 0.00 178.00 176.74 1q80 n GLU 87 N -3.22 0.68 0.07 0.86 -0.58 -1.26 -4.64 120.64 112.54 1q80 n GLU 87 Ca -0.01 0.10 0.09 0.00 -0.42 0.00 0.00 57.16 56.93 1q80 n GLU 87 Cb 0.20 -1.47 0.40 0.00 -0.57 0.00 0.00 31.44 30.00 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 -3.08 1.65 -0.33 0.62 0.00 -1.25 -4.28 120.51 113.84 1q80 n ALA 88 Ca -0.39 0.02 0.24 0.00 0.00 0.00 0.00 53.44 53.31 1q80 n ALA 88 Cb 0.98 -1.31 0.46 0.00 0.00 0.00 0.00 19.45 19.57 1q80 n ALA 88 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1q80 h LYS 89 N 0.00 0.00 -0.51 0.00 5.09 -1.72 -2.59 116.57 116.84 1q80 h LYS 89 Ca 0.00 -0.00 0.15 0.00 0.09 0.00 0.00 60.65 60.89 1q80 h LYS 89 Cb 0.31 -0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.62 1q80 h LYS 89 CO 0.00 0.00 0.43 1.03 -2.09 0.00 0.00 179.45 178.82 1q80 h SER 90 N 0.00 0.00 -0.15 7.07 0.87 -1.94 -1.50 113.55 117.90 1q80 h SER 90 Ca 0.74 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 61.21 1q80 h SER 90 Cb 1.80 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.74 1q80 h SER 90 CO -0.85 0.00 -0.19 -0.37 -0.53 0.00 0.00 176.83 174.89 1q80 h VAL 91 N 0.00 1.26 0.10 2.23 -1.51 -1.81 -0.65 116.25 115.87 1q80 h VAL 91 Ca 0.24 -1.21 -0.21 0.00 -1.23 0.00 0.00 66.70 64.30 1q80 h VAL 91 Cb 1.10 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1q80 h VAL 91 CO -0.00 0.39 -1.04 1.62 -1.23 0.00 0.00 177.57 177.31 1q80 h VAL 92 N 0.52 1.28 0.18 7.19 3.04 -1.50 -3.42 116.25 123.54 1q80 h VAL 92 Ca 0.08 -2.43 -0.35 0.00 -1.01 0.00 0.00 66.70 62.99 1q80 h VAL 92 Cb 0.62 2.93 0.01 0.00 -2.01 0.00 0.00 31.29 32.84 1q80 h VAL 92 CO 0.04 0.67 -1.77 1.05 -1.01 0.00 0.00 177.57 176.55 1q80 h GLU 93 N -0.45 0.39 -0.98 4.17 9.09 -1.57 -3.41 114.58 121.81 1q80 h GLU 93 Ca -0.22 -0.67 0.31 0.00 0.05 0.00 0.00 59.36 58.84 1q80 h GLU 93 Cb 1.61 0.25 -0.18 0.00 -1.65 0.00 0.00 28.75 28.78 1q80 h GLU 93 CO 0.07 1.32 0.21 0.78 0.05 0.00 0.00 179.01 181.44 1q80 h GLY 94 N 0.69 1.59 2.00 1.06 0.00 -1.35 -1.89 103.07 105.16 1q80 h GLY 94 Ca -0.35 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1q80 h GLY 94 CO 0.17 -0.59 0.00 -2.55 0.00 0.00 0.00 176.54 173.57 1q80 h PRO 95 N 0.03 0.00 0.20 4.80 0.11 -1.79 -3.36 132.00 131.99 1q80 h PRO 95 Ca 0.67 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.77 1q80 h PRO 95 Cb 1.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.65 1q80 h PRO 95 CO -0.85 0.00 -0.10 -0.07 -0.21 0.00 0.00 178.00 176.78 1q80 h LEU 96 N 0.00 -0.23 -1.33 2.35 -0.00 -1.63 0.53 115.31 115.00 1q80 h LEU 96 Ca 0.00 -0.01 0.18 0.00 -0.00 0.00 0.00 57.88 58.05 1q80 h LEU 96 Cb 0.12 0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 40.77 1q80 h LEU 96 CO 0.00 -0.14 0.59 -0.65 -0.00 0.00 0.00 178.44 178.24 1q80 h PRO 97 N -0.29 0.57 0.24 1.13 0.11 -1.81 -1.24 132.00 130.70 1q80 h PRO 97 Ca -0.03 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1q80 h PRO 97 Cb 0.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1q80 h PRO 97 CO 0.05 0.38 -0.12 1.25 -0.21 0.00 0.00 178.00 179.34 1q80 h LEU 98 N 0.59 -0.28 -1.94 2.35 6.46 -1.74 -3.22 115.31 117.52 1q80 h LEU 98 Ca 0.48 -0.23 0.10 0.00 -0.12 0.00 0.00 57.88 58.11 1q80 h LEU 98 Cb 0.95 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 1q80 h LEU 98 CO -0.23 0.12 0.26 -0.26 -0.62 0.00 0.00 178.44 177.71 1q80 h PHE 99 N -0.72 0.07 -0.44 1.25 0.04 -0.49 -2.46 116.94 114.18 1q80 h PHE 99 Ca -0.03 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.78 1q80 h PHE 99 Cb 0.49 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.58 1q80 h PHE 99 CO 0.04 0.03 0.20 0.35 -0.60 0.00 0.00 178.31 178.33 1q80 h PHE 100 N 0.07 0.36 -0.43 -0.55 3.04 -1.25 -1.40 116.94 116.77 1q80 h PHE 100 Ca 0.17 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1q80 h PHE 100 Cb 0.61 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.00 1q80 h PHE 100 CO -0.00 0.16 0.20 0.00 -2.02 0.00 0.00 178.31 176.66 1q80 h ARG 101 N 0.40 0.60 -0.29 1.11 2.47 -1.50 0.38 114.38 117.55 1q80 h ARG 101 Ca 0.20 -0.07 -0.14 0.00 -1.26 0.00 0.00 59.98 58.71 1q80 h ARG 101 Cb 0.14 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1q80 h ARG 101 CO -0.16 0.48 -0.35 0.00 0.56 0.00 0.00 179.97 180.50 1q80 h ALA 102 N 1.62 0.44 -0.02 0.04 0.00 -1.49 -3.35 119.26 116.49 1q80 h ALA 102 Ca 0.15 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 1q80 h ALA 102 Cb 0.08 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1q80 h ALA 102 CO -0.02 0.50 -0.76 0.28 0.00 0.00 0.00 179.25 179.26 1q80 h VAL 103 N 0.51 1.36 0.00 0.00 2.07 -1.09 -3.40 116.25 115.71 1q80 h VAL 103 Ca 0.04 -2.10 -0.62 0.00 0.82 0.00 0.00 66.70 64.84 1q80 h VAL 103 Cb 0.93 2.43 0.04 0.00 -1.52 0.00 0.00 31.29 33.18 1q80 h VAL 103 CO 0.08 0.63 2.36 -0.67 0.02 0.00 0.00 177.57 179.99 1q80 n ASP 104 N -4.07 2.84 0.16 0.57 2.03 0.11 -4.72 116.55 113.47 1q80 n ASP 104 Ca -0.10 -2.63 0.14 0.00 0.52 0.00 0.00 54.79 52.71 1q80 n ASP 104 Cb 0.74 -1.12 0.69 0.00 -0.72 0.00 0.00 41.12 40.71 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 4.33 0.83 0.00 5.18 1.03 -1.82 -1.67 112.91 120.79 1q80 h THR 105 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.83 1q80 h THR 105 Cb 0.60 0.88 0.00 0.00 -1.07 0.00 0.00 68.15 68.56 1q80 h THR 105 CO 1.89 0.00 -0.62 -0.46 -0.01 0.00 0.00 175.52 176.32 1q80 n ASN 106 N -4.38 0.58 -3.60 0.00 0.23 -1.26 -2.30 115.26 104.54 1q80 n ASN 106 Ca 0.02 -0.30 -0.20 0.00 -0.53 0.00 0.00 54.58 53.58 1q80 n ASN 106 Cb 0.31 0.38 0.05 0.00 -2.08 0.00 0.00 39.78 38.44 1q80 n ASN 106 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1q80 n GLU 107 N -1.60 -5.50 0.06 -3.83 0.28 -0.63 -4.97 120.64 104.45 1q80 n GLU 107 Ca 0.05 0.70 0.12 0.00 -0.16 0.00 0.00 57.16 57.87 1q80 n GLU 107 Cb 0.35 -5.43 0.15 0.00 1.43 0.00 0.00 31.44 27.94 1q80 n GLU 107 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1q80 h ASP 108 N -1.87 0.00 0.00 -1.84 1.82 -1.96 -3.48 116.42 109.08 1q80 h ASP 108 Ca -0.60 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 55.82 1q80 h ASP 108 Cb 1.35 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.36 1q80 h ASP 108 CO 0.54 0.11 0.00 -0.46 -1.61 0.00 0.00 179.24 177.82 1q80 n ASN 109 N -2.13 -0.75 -3.85 2.28 2.04 -1.26 -5.03 115.26 106.55 1q80 n ASN 109 Ca 0.03 0.00 -0.16 0.00 -0.44 0.00 0.00 54.58 54.01 1q80 n ASN 109 Cb 0.45 -0.12 -0.15 0.00 -2.53 0.00 0.00 39.78 37.42 1q80 n ASN 109 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1q80 s ASN 110 N -2.74 0.37 -0.26 0.53 0.01 -1.26 -3.73 114.94 107.85 1q80 s ASN 110 Ca 0.00 -0.03 -0.11 0.00 -0.71 0.00 0.00 52.86 52.01 1q80 s ASN 110 Cb 0.00 -0.15 -0.05 0.00 0.41 0.00 0.00 41.25 41.46 1q80 s ASN 110 CO 0.00 -0.05 0.19 -0.63 -1.51 0.00 0.00 177.10 175.09 1q80 s ILE 111 N 0.62 5.32 0.49 0.60 1.01 0.20 -4.79 121.20 124.65 1q80 s ILE 111 Ca -0.06 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.75 1q80 s ILE 111 Cb -0.09 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 1q80 s ILE 111 CO -0.01 0.28 0.75 -0.94 0.00 0.00 0.00 174.94 175.01 1q80 s SER 112 N 1.50 5.89 0.54 3.58 1.04 -1.26 -0.87 113.70 124.12 1q80 s SER 112 Ca 0.07 0.54 0.23 0.00 0.48 0.00 0.00 55.95 57.27 1q80 s SER 112 Cb -0.15 -1.76 1.42 0.00 0.10 0.00 0.00 66.02 65.63 1q80 s SER 112 CO 0.09 -0.74 2.08 0.08 0.98 0.00 0.00 173.24 175.72 1q80 h ARG 113 N 0.24 0.00 -0.13 4.02 0.11 -2.00 -1.39 114.38 115.23 1q80 h ARG 113 Ca -0.46 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.49 1q80 h ARG 113 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1q80 h ARG 113 CO 0.59 0.00 -0.40 -0.44 0.10 0.00 0.00 179.97 179.83 1q80 h ASP 114 N 0.00 0.57 -0.35 0.08 3.32 -1.95 -0.57 116.42 117.52 1q80 h ASP 114 Ca 0.12 -0.60 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1q80 h ASP 114 Cb 0.52 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1q80 h ASP 114 CO -0.00 1.07 0.20 -0.33 -1.72 0.00 0.00 179.24 178.46 1q80 h GLU 115 N 0.11 0.48 -0.98 3.56 3.07 -1.79 -1.12 114.58 117.91 1q80 h GLU 115 Ca -0.01 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1q80 h GLU 115 Cb 1.02 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.78 1q80 h GLU 115 CO 0.09 0.38 0.64 -0.92 -1.40 0.00 0.00 179.01 177.80 1q80 h TYR 116 N 0.45 1.20 -0.66 4.33 3.20 -1.34 -1.66 116.97 122.48 1q80 h TYR 116 Ca 0.12 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1q80 h TYR 116 Cb 0.03 -0.40 -0.04 0.00 1.54 0.00 0.00 36.73 37.86 1q80 h TYR 116 CO -0.03 0.70 0.43 0.78 -1.64 0.00 0.00 178.16 178.39 1q80 h GLY 117 N 1.25 0.95 1.00 1.82 0.00 -0.59 -1.49 103.07 106.01 1q80 h GLY 117 Ca 0.39 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 1q80 h GLY 117 CO -0.12 0.30 0.15 -2.22 0.00 0.00 0.00 176.54 174.65 1q80 h ILE 118 N 0.85 1.25 -0.15 2.60 5.03 -0.88 -0.96 117.51 125.25 1q80 h ILE 118 Ca 0.26 -0.87 0.05 0.00 -0.12 0.00 0.00 64.86 64.18 1q80 h ILE 118 Cb -0.04 0.72 -0.06 0.00 -3.03 0.00 0.00 36.82 34.41 1q80 h ILE 118 CO -0.08 0.32 -0.24 0.15 -0.68 0.00 0.00 178.15 177.62 1q80 h PHE 119 N 0.82 -0.65 -0.48 1.37 3.57 -0.93 0.27 116.94 120.91 1q80 h PHE 119 Ca 0.18 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.77 1q80 h PHE 119 Cb 0.33 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 1q80 h PHE 119 CO 0.02 -0.32 0.18 0.74 -2.23 0.00 0.00 178.31 176.70 1q80 h PHE 120 N -0.29 0.33 -0.75 0.41 -1.00 -1.20 -2.41 116.94 112.02 1q80 h PHE 120 Ca 0.11 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.98 1q80 h PHE 120 Cb 0.46 -0.07 -0.06 0.00 3.61 0.00 0.00 35.95 39.88 1q80 h PHE 120 CO -0.35 0.12 0.44 0.78 -1.61 0.00 0.00 178.31 177.68 1q80 h GLY 121 N 0.37 1.13 0.95 -1.45 0.00 -0.74 -1.50 103.07 101.82 1q80 h GLY 121 Ca 0.23 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.27 1q80 h GLY 121 CO -0.22 0.18 0.49 -0.33 0.00 0.00 0.00 176.54 176.65 1q80 h MET 122 N 0.79 0.95 0.00 4.80 2.86 -0.49 -2.08 114.93 121.75 1q80 h MET 122 Ca 0.34 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1q80 h MET 122 Cb 0.22 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1q80 h MET 122 CO -0.19 0.63 0.00 -0.07 1.06 0.00 0.00 176.91 178.33 1q80 h LEU 123 N 0.98 0.00 0.00 1.22 -0.00 -1.24 -3.41 115.31 112.85 1q80 h LEU 123 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.17 1q80 h LEU 123 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1q80 h LEU 123 CO -0.08 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.97 1q80 n GLY 124 N -0.46 1.69 0.00 0.83 0.00 -0.78 -5.07 105.19 101.39 1q80 n GLY 124 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1q80 n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q80 n LEU 125 N 0.00 0.00 -4.61 0.99 7.99 -0.58 -4.99 117.00 115.79 1q80 n LEU 125 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 55.70 1q80 n LEU 125 Cb 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.22 1q80 n LEU 125 CO 0.00 0.00 -0.39 -0.62 -1.51 0.00 0.00 177.39 174.87 1q80 s ASP 126 N -0.94 4.60 0.33 -1.43 -1.08 -1.26 -4.04 116.67 112.85 1q80 s ASP 126 Ca 0.00 -0.33 0.11 0.00 -0.52 0.00 0.00 52.55 51.81 1q80 s ASP 126 Cb 0.00 -0.95 0.92 0.00 -1.46 0.00 0.00 42.92 41.43 1q80 s ASP 126 CO 0.00 0.17 1.74 0.11 0.52 0.00 0.00 175.17 177.71 1q80 h LYS 127 N 3.48 0.54 -0.08 4.34 1.57 -1.95 -1.73 116.57 122.75 1q80 h LYS 127 Ca -0.48 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1q80 h LYS 127 Cb 1.17 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1q80 h LYS 127 CO 0.55 0.36 0.20 1.79 -0.57 0.00 0.00 179.45 181.78 1q80 h THR 128 N 0.56 0.17 -0.11 -0.16 1.35 -1.97 -2.28 112.91 110.47 1q80 h THR 128 Ca 0.63 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 66.31 1q80 h THR 128 Cb 1.26 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1q80 h THR 128 CO -0.43 0.00 -0.67 0.24 -0.25 0.00 0.00 175.52 174.40 1q80 h MET 129 N 0.00 0.47 -0.19 4.72 2.86 -1.74 -3.39 114.93 117.66 1q80 h MET 129 Ca 0.04 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1q80 h MET 129 Cb 0.43 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1q80 h MET 129 CO -0.00 0.98 0.12 0.00 1.06 0.00 0.00 176.91 179.07 1q80 h ALA 130 N 0.93 0.25 -0.73 6.32 0.00 -1.56 -3.31 119.26 121.16 1q80 h ALA 130 Ca -0.02 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1q80 h ALA 130 Cb 1.24 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1q80 h ALA 130 CO 0.12 -0.26 0.31 -1.00 0.00 0.00 0.00 179.25 178.42 1q80 h PRO 131 N 0.24 0.47 -0.98 0.00 0.13 -1.75 -1.16 132.00 128.96 1q80 h PRO 131 Ca 0.07 -0.03 0.13 0.00 -0.87 0.00 0.00 66.00 65.30 1q80 h PRO 131 Cb 0.00 -0.11 -0.08 0.00 0.13 0.00 0.00 31.00 30.94 1q80 h PRO 131 CO -0.01 0.31 0.62 0.00 -0.23 0.00 0.00 178.00 178.69 1q80 h ALA 132 N 1.50 1.60 0.17 -0.56 0.00 -1.80 -1.38 119.26 118.79 1q80 h ALA 132 Ca 0.39 0.03 -0.31 0.00 0.00 0.00 0.00 54.91 55.01 1q80 h ALA 132 Cb 0.53 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1q80 h ALA 132 CO -0.36 0.14 -1.42 0.77 0.00 0.00 0.00 179.25 178.39 1q80 h SER 133 N 0.91 0.58 -0.82 0.00 0.02 -1.58 -3.37 113.55 109.30 1q80 h SER 133 Ca 0.50 -0.66 0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1q80 h SER 133 Cb 0.58 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 1q80 h SER 133 CO -0.26 1.53 0.50 0.15 -1.14 0.00 0.00 176.83 177.60 1q80 h PHE 134 N 0.10 0.93 -0.92 3.45 3.04 -0.81 -3.05 116.94 119.68 1q80 h PHE 134 Ca -0.21 0.03 0.19 0.00 3.98 0.00 0.00 57.97 61.96 1q80 h PHE 134 Cb 2.06 -0.30 -0.08 0.00 2.56 0.00 0.00 35.95 40.19 1q80 h PHE 134 CO 0.09 0.48 0.60 -0.44 -2.02 0.00 0.00 178.31 177.02 1q80 h ASP 135 N 0.93 0.53 0.48 0.41 3.32 -1.42 -1.34 116.42 119.32 1q80 h ASP 135 Ca 0.35 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.35 1q80 h ASP 135 Cb 0.15 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1q80 h ASP 135 CO -0.16 0.22 -0.49 0.00 -1.72 0.00 0.00 179.24 177.08 1q80 h ALA 136 N 1.61 1.17 0.10 3.45 0.00 -1.73 -3.34 119.26 120.53 1q80 h ALA 136 Ca 0.49 -0.45 -0.31 0.00 0.00 0.00 0.00 54.91 54.64 1q80 h ALA 136 Cb 1.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1q80 h ALA 136 CO -0.22 0.62 -1.59 0.82 0.00 0.00 0.00 179.25 178.88 1q80 h ILE 137 N 0.01 1.08 0.00 0.00 2.04 -1.39 -3.43 117.51 115.81 1q80 h ILE 137 Ca -0.00 -2.75 -0.63 0.00 1.00 0.00 0.00 64.86 62.47 1q80 h ILE 137 Cb 0.88 2.70 0.05 0.00 -0.74 0.00 0.00 36.82 39.70 1q80 h ILE 137 CO 0.06 0.79 2.30 -0.67 0.00 0.00 0.00 178.15 180.64 1q80 n ASP 138 N -3.41 2.61 0.17 1.72 2.03 -0.66 -4.74 116.55 114.27 1q80 n ASP 138 Ca -0.18 -2.65 0.03 0.00 0.52 0.00 0.00 54.79 52.51 1q80 n ASP 138 Cb 1.04 -1.10 0.42 0.00 -0.72 0.00 0.00 41.12 40.77 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 4.42 1.17 0.00 5.18 2.02 -1.88 -3.03 112.91 120.80 1q80 h THR 139 Ca 0.42 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1q80 h THR 139 Cb 0.64 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1q80 h THR 139 CO 1.93 0.24 0.00 -0.55 0.37 0.00 0.00 175.52 177.51 1q80 h ASN 140 N 0.11 0.00 -5.22 4.18 7.08 -1.91 -3.48 115.58 116.33 1q80 h ASN 140 Ca 0.02 0.00 -0.29 0.00 -3.08 0.00 0.00 56.30 52.95 1q80 h ASN 140 Cb 0.40 0.00 0.15 0.00 -2.08 0.00 0.00 38.32 36.79 1q80 h ASN 140 CO 0.03 0.00 -0.68 0.59 -2.08 0.00 0.00 177.43 175.29 1q80 n ASN 141 N -3.04 -2.06 0.00 6.14 3.02 -1.15 -4.97 115.26 113.21 1q80 n ASN 141 Ca 0.01 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 1q80 n ASN 141 Cb 0.29 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 1q80 n ASN 141 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1q80 n ASP 142 N -2.88 0.37 0.00 6.41 2.03 -1.26 -5.08 116.55 116.14 1q80 n ASP 142 Ca -0.25 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.02 1q80 n ASP 142 Cb 0.65 0.14 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 1q80 n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q80 n GLY 143 N 0.25 0.86 2.75 0.27 0.00 -1.26 -5.11 105.19 102.94 1q80 n GLY 143 Ca 0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 1q80 n GLY 143 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q80 s LEU 144 N 0.00 0.72 -0.41 0.99 2.96 -1.26 -4.18 118.68 117.50 1q80 s LEU 144 Ca 0.00 0.03 -0.15 0.00 -0.22 0.00 0.00 54.13 53.78 1q80 s LEU 144 Cb 0.00 -0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.54 1q80 s LEU 144 CO 0.00 -0.17 0.31 -0.76 -1.32 0.00 0.00 176.35 174.41 1q80 s LEU 145 N 1.53 5.11 1.06 -0.68 1.43 -0.04 -4.84 118.68 122.24 1q80 s LEU 145 Ca -0.03 -0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 52.00 1q80 s LEU 145 Cb -0.13 -2.17 0.23 0.00 0.03 0.00 0.00 46.19 44.16 1q80 s LEU 145 CO -0.03 -0.46 1.22 -0.94 0.23 0.00 0.00 176.35 176.38 1q80 s SER 146 N 1.70 2.23 0.16 2.29 1.04 -1.26 -0.63 113.70 119.23 1q80 s SER 146 Ca 0.05 0.46 -0.18 0.00 0.48 0.00 0.00 55.95 56.77 1q80 s SER 146 Cb -0.19 -0.63 0.06 0.00 0.10 0.00 0.00 66.02 65.37 1q80 s SER 146 CO 0.10 -3.30 1.68 0.25 0.98 0.00 0.00 173.24 172.95 1q80 h LEU 147 N -2.02 -0.34 -0.45 2.42 7.12 -1.99 -2.42 115.31 117.61 1q80 h LEU 147 Ca -0.45 0.11 0.09 0.00 0.13 0.00 0.00 57.88 57.76 1q80 h LEU 147 Cb 1.27 0.22 -0.09 0.00 -0.53 0.00 0.00 40.66 41.53 1q80 h LEU 147 CO 0.38 -0.12 -0.12 -0.08 -0.13 0.00 0.00 178.44 178.37 1q80 h GLU 148 N -0.01 -0.00 -0.24 1.25 4.57 -1.95 -0.52 114.58 117.68 1q80 h GLU 148 Ca 0.17 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1q80 h GLU 148 Cb 0.26 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1q80 h GLU 148 CO -0.36 -0.00 0.10 0.93 -1.18 0.00 0.00 179.01 178.50 1q80 h GLU 149 N -0.00 0.36 -0.23 1.92 3.07 -1.88 -1.59 114.58 116.23 1q80 h GLU 149 Ca 0.22 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 1q80 h GLU 149 Cb 0.34 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1q80 h GLU 149 CO -0.47 0.40 0.06 0.35 -1.40 0.00 0.00 179.01 177.94 1q80 h PHE 150 N 0.24 0.38 -0.56 4.33 3.04 -1.17 -0.10 116.94 123.10 1q80 h PHE 150 Ca 0.08 -0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 1q80 h PHE 150 Cb 0.17 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.55 1q80 h PHE 150 CO -0.01 0.46 0.29 -0.39 -2.02 0.00 0.00 178.31 176.64 1q80 h VAL 151 N 0.18 1.19 0.43 1.41 -1.51 -1.11 -0.42 116.25 116.42 1q80 h VAL 151 Ca 0.07 -0.52 -0.02 0.00 -1.23 0.00 0.00 66.70 65.00 1q80 h VAL 151 Cb 0.27 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 1q80 h VAL 151 CO 0.00 0.21 -0.20 0.40 -1.23 0.00 0.00 177.57 176.75 1q80 h ILE 152 N 0.75 0.56 -0.49 7.19 2.04 -1.28 -1.77 117.51 124.52 1q80 h ILE 152 Ca 0.19 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1q80 h ILE 152 Cb 0.08 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1q80 h ILE 152 CO -0.03 0.05 0.24 0.00 0.00 0.00 0.00 178.15 178.41 1q80 h ALA 153 N -0.25 1.49 -0.38 1.87 0.00 -1.03 -0.79 119.26 120.17 1q80 h ALA 153 Ca -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1q80 h ALA 153 Cb 0.52 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1q80 h ALA 153 CO 0.10 0.41 0.15 0.78 0.00 0.00 0.00 179.25 180.68 1q80 h GLY 154 N 0.80 0.60 0.77 0.00 0.00 -1.06 -1.45 103.07 102.73 1q80 h GLY 154 Ca 0.17 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.22 1q80 h GLY 154 CO -0.02 0.31 0.51 1.76 0.00 0.00 0.00 176.54 179.09 1q80 h SER 155 N 0.46 0.81 0.25 0.19 0.02 -0.97 -2.51 113.55 111.81 1q80 h SER 155 Ca 0.13 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1q80 h SER 155 Cb 0.19 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1q80 h SER 155 CO -0.01 0.53 -0.12 -0.78 -1.14 0.00 0.00 176.83 175.31 1q80 h ASP 156 N 0.95 -0.28 -0.93 3.07 3.58 -1.00 -1.47 116.42 120.33 1q80 h ASP 156 Ca 0.35 -0.02 0.15 0.00 0.42 0.00 0.00 57.03 57.93 1q80 h ASP 156 Cb 0.12 0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.16 1q80 h ASP 156 CO -0.15 -0.17 0.59 0.15 -2.88 0.00 0.00 179.24 176.78 1q80 h PHE 157 N -0.37 0.88 0.07 0.28 3.04 -1.15 0.04 116.94 119.73 1q80 h PHE 157 Ca -0.03 0.03 -0.25 0.00 3.98 0.00 0.00 57.97 61.69 1q80 h PHE 157 Cb 0.28 -0.28 0.02 0.00 2.56 0.00 0.00 35.95 38.54 1q80 h PHE 157 CO -0.05 0.30 -1.03 0.74 -2.02 0.00 0.00 178.31 176.25 1q80 h PHE 158 N 0.73 0.90 0.00 0.41 0.04 -1.27 -3.43 116.94 114.31 1q80 h PHE 158 Ca 0.48 -0.54 -0.32 0.00 2.80 0.00 0.00 57.97 60.38 1q80 h PHE 158 Cb 0.75 -0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.76 1q80 h PHE 158 CO -0.00 1.38 -2.22 -1.33 -0.60 0.00 0.00 178.31 175.54 1q80 n MET 159 N -3.93 0.53 -2.93 1.51 2.81 -0.57 -5.02 117.12 109.53 1q80 n MET 159 Ca -0.12 0.13 -0.40 0.00 -1.81 0.00 0.00 57.70 55.49 1q80 n MET 159 Cb 0.88 -1.42 -0.05 0.00 -0.71 0.00 0.00 33.22 31.92 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 -6.13 7.30 -0.74 7.83 2.47 -0.01 -5.01 114.94 120.65 1q80 s ASN 160 Ca -0.29 1.55 -0.03 0.00 0.42 0.00 0.00 52.86 54.51 1q80 s ASN 160 Cb 0.08 -2.50 0.19 0.00 -1.45 0.00 0.00 41.25 37.56 1q80 s ASN 160 CO 0.49 0.03 2.40 0.47 -3.72 0.00 0.00 177.10 176.76 1q80 n ASP 161 N 2.63 7.09 -4.67 -4.21 9.92 -1.26 -4.67 116.55 121.38 1q80 n ASP 161 Ca -0.02 -3.45 -0.39 0.00 -0.53 0.00 0.00 54.79 50.40 1q80 n ASP 161 Cb 0.50 -1.19 -0.06 0.00 -0.64 0.00 0.00 41.12 39.73 1q80 n ASP 161 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1q80 s GLY 162 N -0.26 2.16 0.95 0.44 0.00 -1.26 -5.01 107.32 104.33 1q80 s GLY 162 Ca 0.54 -0.26 -0.16 0.00 0.00 0.00 0.00 44.72 44.85 1q80 s GLY 162 CO -0.26 1.16 1.05 1.34 0.00 0.00 0.00 173.10 176.39 1q80 n ASP 163 N 4.67 -0.89 0.00 1.64 -0.08 -1.26 -3.69 116.55 116.93 1q80 n ASP 163 Ca -0.03 -1.25 0.00 0.00 -1.51 0.00 0.00 54.79 52.00 1q80 n ASP 163 Cb 0.50 -0.87 0.00 0.00 2.34 0.00 0.00 41.12 43.09 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 -4.16 0.00 -0.08 1.67 2.88 -1.26 -4.30 113.62 108.37 1q80 n SER 164 Ca 0.14 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.57 1q80 n SER 164 Cb 0.50 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.91 1q80 n SER 164 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1q80 n THR 165 N 0.00 1.46 0.35 2.46 -2.24 -1.26 -4.48 114.28 110.57 1q80 n THR 165 Ca 0.00 0.14 0.05 0.00 -2.27 0.00 0.00 64.05 61.97 1q80 n THR 165 Cb 0.00 -2.27 0.24 0.00 -2.10 0.00 0.00 70.33 66.19 1q80 n THR 165 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1q80 n ASN 166 N -4.56 0.04 0.09 3.42 5.15 -1.26 -2.85 115.26 115.30 1q80 n ASN 166 Ca -0.16 0.51 -0.05 0.00 -0.60 0.00 0.00 54.58 54.29 1q80 n ASN 166 Cb 0.40 -0.52 0.01 0.00 -0.53 0.00 0.00 39.78 39.15 1q80 n ASN 166 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 1q80 h LYS 167 N 0.00 0.02 -4.90 1.20 2.10 -1.79 -3.34 116.57 109.87 1q80 h LYS 167 Ca 0.00 -0.03 -0.71 0.00 -2.00 0.00 0.00 60.65 57.92 1q80 h LYS 167 Cb 0.18 0.01 -0.18 0.00 -0.90 0.00 0.00 32.23 31.34 1q80 h LYS 167 CO 0.00 0.84 0.94 0.14 -2.00 0.00 0.00 179.45 179.37 1q80 s VAL 168 N -3.14 4.85 -0.20 0.07 -7.23 -1.13 -4.65 120.40 108.96 1q80 s VAL 168 Ca -0.00 -1.90 -0.02 0.00 -1.81 0.00 0.00 61.98 58.25 1q80 s VAL 168 Cb 0.11 -4.80 -0.12 0.00 0.56 0.00 0.00 36.38 32.13 1q80 s VAL 168 CO 0.80 -1.52 -0.21 0.33 -0.31 0.00 0.00 175.10 174.19 1q80 n PHE 169 N 6.19 0.00 -1.67 2.82 -0.00 -1.25 -4.82 117.46 118.73 1q80 n PHE 169 Ca 0.27 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.34 1q80 n PHE 169 Cb 0.47 -0.76 0.06 0.00 -0.00 0.00 0.00 39.48 39.25 1q80 n PHE 169 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 1q80 n TRP 170 N -3.35 3.09 0.00 -5.13 7.02 -1.26 -5.06 117.44 112.75 1q80 n TRP 170 Ca -0.37 -2.63 0.00 0.00 -1.02 0.00 0.00 57.50 53.48 1q80 n TRP 170 Cb 0.85 -1.30 0.00 0.00 -2.42 0.00 0.00 31.31 28.44 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 -0.70 -1.48 3.63 6.99 0.00 -1.26 -4.68 105.19 107.69 1q80 n GLY 171 Ca 0.58 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.67 1.57 -1.74 1.61 -0.02 -1.26 -4.75 135.00 128.74 1q80 n PRO 172 Ca 0.00 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1q80 n PRO 172 Cb 0.00 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 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 -0.43 4.33 0.00 2.45 1.43 -1.26 -4.92 118.68 120.27 1q80 s LEU 173 Ca 0.60 2.51 0.15 0.00 -1.03 0.00 0.00 54.13 56.36 1q80 s LEU 173 Cb -0.60 -3.53 0.91 0.00 0.03 0.00 0.00 46.19 43.00 1q80 s LEU 173 CO 0.59 -1.11 1.32 1.33 0.23 0.00 0.00 176.35 178.71