#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 0.73 0.25 4.04 3.32 -1.98 -1.12 116.42 121.66 1q80 h ASP 2 Ca 0.00 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1q80 h ASP 2 Cb 0.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1q80 h ASP 2 CO 0.00 0.27 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.60 1q80 h LEU 3 N 0.74 -0.29 -0.43 1.55 3.38 -1.99 0.11 115.31 118.38 1q80 h LEU 3 Ca 0.55 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.47 1q80 h LEU 3 Cb 0.82 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1q80 h LEU 3 CO -0.37 -0.07 0.17 -0.25 0.09 0.00 0.00 178.44 178.00 1q80 h TRP 4 N -0.50 0.30 0.65 1.13 7.01 -1.55 -1.47 115.95 121.52 1q80 h TRP 4 Ca -0.03 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.96 1q80 h TRP 4 Cb 0.37 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 1q80 h TRP 4 CO -0.02 0.12 -0.46 0.28 -2.79 0.00 0.00 178.44 175.57 1q80 h VAL 5 N 0.34 0.07 -0.96 2.65 2.07 -1.20 -2.58 116.25 116.64 1q80 h VAL 5 Ca 0.20 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.95 1q80 h VAL 5 Cb 0.17 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 29.94 1q80 h VAL 5 CO -0.19 0.00 0.63 1.56 0.02 0.00 0.00 177.57 179.59 1q80 h GLN 6 N -1.07 0.38 0.66 1.57 7.50 -0.58 0.14 115.11 123.71 1q80 h GLN 6 Ca -0.08 -0.02 -0.03 0.00 0.50 0.00 0.00 58.65 59.01 1q80 h GLN 6 Cb 0.88 -0.08 0.01 0.00 0.05 0.00 0.00 27.48 28.33 1q80 h GLN 6 CO 0.04 0.25 -0.32 0.87 -1.50 0.00 0.00 178.83 178.17 1q80 h LYS 7 N 0.39 -0.86 -0.55 1.46 1.57 -1.09 0.26 116.57 117.74 1q80 h LYS 7 Ca 0.51 0.06 0.05 0.00 -1.87 0.00 0.00 60.65 59.40 1q80 h LYS 7 Cb 1.32 0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.78 1q80 h LYS 7 CO -0.21 -0.57 0.29 0.52 -0.57 0.00 0.00 179.45 178.91 1q80 h MET 8 N -1.24 0.54 -0.87 3.15 2.86 -1.25 -1.52 114.93 116.61 1q80 h MET 8 Ca -0.09 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1q80 h MET 8 Cb 0.68 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 1q80 h MET 8 CO 0.15 0.36 0.58 -0.22 1.06 0.00 0.00 176.91 178.83 1q80 h LYS 9 N 0.56 1.14 0.13 1.72 3.64 -0.83 -1.30 116.57 121.63 1q80 h LYS 9 Ca 0.24 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1q80 h LYS 9 Cb 0.13 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 31.65 1q80 h LYS 9 CO -0.16 0.75 -0.45 1.15 -2.27 0.00 0.00 179.45 178.47 1q80 h THR 10 N 1.17 0.11 -0.71 1.00 2.02 0.06 0.84 112.91 117.40 1q80 h THR 10 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.50 1q80 h THR 10 Cb -0.13 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.36 1q80 h THR 10 CO -0.07 0.00 0.46 0.22 0.37 0.00 0.00 175.52 176.50 1q80 h TYR 11 N -0.69 0.90 0.87 3.16 3.20 -1.20 -1.12 116.97 122.09 1q80 h TYR 11 Ca 0.01 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1q80 h TYR 11 Cb 0.71 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 38.69 1q80 h TYR 11 CO -0.39 0.58 -0.42 0.35 -1.64 0.00 0.00 178.16 176.64 1q80 h PHE 12 N 0.96 -1.08 -0.14 -3.82 3.04 -1.02 -1.36 116.94 113.52 1q80 h PHE 12 Ca 0.26 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.17 1q80 h PHE 12 Cb -0.09 0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 1q80 h PHE 12 CO -0.02 -0.67 0.05 -0.91 -2.02 0.00 0.00 178.31 174.74 1q80 h ASN 13 N -1.27 0.17 0.29 0.41 -0.26 -0.88 -1.99 115.58 112.06 1q80 h ASN 13 Ca -0.12 -0.01 -0.31 0.00 -0.56 0.00 0.00 56.30 55.30 1q80 h ASN 13 Cb 0.90 -0.04 0.03 0.00 -1.06 0.00 0.00 38.32 38.14 1q80 h ASN 13 CO 0.20 0.17 -1.33 0.03 -1.06 0.00 0.00 177.43 175.44 1q80 h ARG 14 N 0.20 0.52 0.00 0.81 3.08 -1.21 -3.32 114.38 114.45 1q80 h ARG 14 Ca 0.05 -0.79 -0.03 0.00 0.07 0.00 0.00 59.98 59.29 1q80 h ARG 14 Cb 0.06 0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1q80 h ARG 14 CO -0.00 1.36 -0.13 0.97 -1.07 0.00 0.00 179.97 181.10 1q80 h ILE 15 N 0.19 0.33 0.00 2.04 6.09 -1.10 -3.39 117.51 121.65 1q80 h ILE 15 Ca -0.20 -0.85 -0.49 0.00 -1.37 0.00 0.00 64.86 61.94 1q80 h ILE 15 Cb 2.02 1.65 0.06 0.00 0.47 0.00 0.00 36.82 41.02 1q80 h ILE 15 CO 0.25 0.12 1.99 -0.67 -3.07 0.00 0.00 178.15 176.77 1q80 n ASP 16 N -3.28 2.39 -0.19 2.19 2.03 -0.76 -4.72 116.55 114.22 1q80 n ASP 16 Ca 0.00 -2.47 -0.04 0.00 0.52 0.00 0.00 54.79 52.81 1q80 n ASP 16 Cb 0.38 -0.89 0.15 0.00 -0.72 0.00 0.00 41.12 40.04 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 8.00 0.98 0.00 -0.67 -1.00 -1.81 -2.82 116.94 119.63 1q80 h PHE 17 Ca 0.35 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 61.05 1q80 h PHE 17 Cb 0.47 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.74 1q80 h PHE 17 CO 1.46 0.78 0.00 0.38 -1.61 0.00 0.00 178.31 179.32 1q80 h ASP 18 N 0.93 0.00 -0.42 2.17 3.04 -1.86 -3.48 116.42 116.80 1q80 h ASP 18 Ca 0.21 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.82 1q80 h ASP 18 Cb 0.25 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.47 1q80 h ASP 18 CO -0.01 0.00 -0.16 0.29 -2.04 0.00 0.00 179.24 177.32 1q80 n LYS 19 N -2.44 -0.96 0.20 4.15 4.76 -1.06 -4.96 118.16 117.85 1q80 n LYS 19 Ca 0.02 0.75 0.14 0.00 -2.87 0.00 0.00 58.31 56.35 1q80 n LYS 19 Cb 0.26 -4.74 0.39 0.00 -1.84 0.00 0.00 35.03 29.11 1q80 n LYS 19 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1q80 h ASP 20 N 0.00 0.00 0.00 4.39 1.82 -1.93 -3.47 116.42 117.22 1q80 h ASP 20 Ca -0.18 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 1q80 h ASP 20 Cb 0.75 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.76 1q80 h ASP 20 CO 0.26 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.50 1q80 n GLY 21 N 0.73 0.05 3.15 -0.78 0.00 -1.26 -5.08 105.19 102.00 1q80 n GLY 21 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 2.05 0.02 4.61 0.00 -1.26 -4.28 121.76 120.90 1q80 s ALA 22 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 1q80 s ALA 22 Cb 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 1q80 s ALA 22 CO 0.00 0.05 1.23 0.42 0.00 0.00 0.00 175.76 177.46 1q80 s ILE 23 N 0.73 4.04 0.24 0.00 -1.09 -0.42 -4.57 121.20 120.13 1q80 s ILE 23 Ca -0.10 1.44 -0.07 0.00 -2.23 0.00 0.00 60.65 59.68 1q80 s ILE 23 Cb -0.16 -3.92 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 1q80 s ILE 23 CO 0.01 0.06 0.35 0.28 -1.23 0.00 0.00 174.94 174.42 1q80 s THR 24 N 1.59 0.00 0.51 2.92 -1.32 -1.26 -1.16 115.64 116.93 1q80 s THR 24 Ca 0.59 -1.65 0.26 0.00 -1.21 0.00 0.00 61.69 59.68 1q80 s THR 24 Cb -0.28 -2.36 0.43 0.00 -1.51 0.00 0.00 72.50 68.77 1q80 s THR 24 CO 0.27 0.00 1.93 -0.09 -2.21 0.00 0.00 174.62 174.52 1q80 h ARG 25 N 2.37 0.07 -0.93 7.08 2.43 -1.95 -2.62 114.38 120.83 1q80 h ARG 25 Ca -0.30 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.91 1q80 h ARG 25 Cb 1.25 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 1q80 h ARG 25 CO 0.42 0.05 0.60 0.52 -1.51 0.00 0.00 179.97 180.04 1q80 h MET 26 N 0.07 1.12 -0.38 0.20 2.86 -1.98 -1.53 114.93 115.29 1q80 h MET 26 Ca 0.35 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.89 1q80 h MET 26 Cb 1.30 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 1q80 h MET 26 CO -0.03 0.74 0.11 0.38 1.06 0.00 0.00 176.91 179.17 1q80 h ASP 27 N 1.15 0.55 -0.31 1.22 3.04 -1.81 -1.17 116.42 119.09 1q80 h ASP 27 Ca 0.37 -0.21 -0.02 0.00 -3.24 0.00 0.00 57.03 53.94 1q80 h ASP 27 Cb 0.03 -0.15 -0.01 0.00 -1.04 0.00 0.00 39.33 38.16 1q80 h ASP 27 CO -0.13 0.62 0.13 -0.26 -2.04 0.00 0.00 179.24 177.56 1q80 h PHE 28 N 0.46 0.46 -0.64 4.15 0.04 -1.61 0.13 116.94 119.94 1q80 h PHE 28 Ca 0.12 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1q80 h PHE 28 Cb 0.27 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 1q80 h PHE 28 CO 0.01 0.44 0.38 0.93 -0.60 0.00 0.00 178.31 179.46 1q80 h GLU 29 N 0.36 0.87 -0.34 1.51 5.08 -1.29 -1.45 114.58 119.31 1q80 h GLU 29 Ca 0.10 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1q80 h GLU 29 Cb 0.16 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1q80 h GLU 29 CO -0.01 0.62 0.15 0.77 -1.00 0.00 0.00 179.01 179.54 1q80 h SER 30 N 0.86 0.46 -0.42 1.42 0.02 -1.07 -1.98 113.55 112.85 1q80 h SER 30 Ca 0.23 -0.15 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1q80 h SER 30 Cb -0.01 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1q80 h SER 30 CO -0.04 0.48 0.19 -0.03 -1.14 0.00 0.00 176.83 176.29 1q80 h MET 31 N 0.41 0.38 -0.19 3.45 -1.53 -0.64 -1.45 114.93 115.35 1q80 h MET 31 Ca 0.12 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.35 1q80 h MET 31 Cb 0.15 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.11 1q80 h MET 31 CO -0.01 0.25 0.13 0.00 0.14 0.00 0.00 176.91 177.41 1q80 h ALA 32 N 1.23 0.24 -0.48 0.39 0.00 -1.19 -0.99 119.26 118.47 1q80 h ALA 32 Ca 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1q80 h ALA 32 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1q80 h ALA 32 CO -0.14 -0.27 0.21 1.49 0.00 0.00 0.00 179.25 180.54 1q80 h GLU 33 N 0.26 0.70 0.06 0.00 4.81 -1.25 0.45 114.58 119.60 1q80 h GLU 33 Ca 0.07 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1q80 h GLU 33 Cb -0.02 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1q80 h GLU 33 CO -0.01 0.61 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.76 1q80 h ARG 34 N 0.63 -0.07 -0.15 1.92 1.12 -1.23 -2.01 114.38 114.60 1q80 h ARG 34 Ca 0.16 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.03 1q80 h ARG 34 Cb 0.15 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 1q80 h ARG 34 CO -0.02 -0.02 0.07 0.35 -3.11 0.00 0.00 179.97 177.25 1q80 h PHE 35 N -0.11 0.21 0.00 2.20 3.04 -1.15 -2.03 116.94 119.10 1q80 h PHE 35 Ca -0.01 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 1q80 h PHE 35 Cb 0.09 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.53 1q80 h PHE 35 CO -0.06 0.23 -0.07 0.00 -2.02 0.00 0.00 178.31 176.38 1q80 h ALA 36 N 0.95 1.64 0.10 2.41 0.00 -0.91 -2.41 119.26 121.04 1q80 h ALA 36 Ca 0.05 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 1q80 h ALA 36 Cb 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1q80 h ALA 36 CO -0.01 0.09 -1.89 -0.22 0.00 0.00 0.00 179.25 177.22 1q80 h LYS 37 N 0.00 0.21 -0.01 0.00 3.64 -1.31 -3.43 116.57 115.68 1q80 h LYS 37 Ca -0.00 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1q80 h LYS 37 Cb 0.15 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1q80 h LYS 37 CO 0.01 1.04 -0.42 0.39 -2.27 0.00 0.00 179.45 178.21 1q80 n GLU 38 N -3.38 1.94 -3.53 1.90 1.02 -0.77 -5.06 120.64 112.75 1q80 n GLU 38 Ca -0.27 -0.54 -0.20 0.00 -0.02 0.00 0.00 57.16 56.13 1q80 n GLU 38 Cb 1.05 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 31.24 1q80 n GLU 38 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1q80 s SER 39 N -1.95 5.44 -0.50 1.62 0.15 -0.91 -5.06 113.70 112.49 1q80 s SER 39 Ca 0.10 -0.48 -0.16 0.00 0.70 0.00 0.00 55.95 56.11 1q80 s SER 39 Cb 0.12 -0.87 0.08 0.00 -1.71 0.00 0.00 66.02 63.63 1q80 s SER 39 CO 0.44 -0.52 0.47 -0.70 1.20 0.00 0.00 173.24 174.13 1q80 s GLU 40 N -4.13 3.01 -0.29 5.44 -6.30 -1.26 -4.91 118.70 110.26 1q80 s GLU 40 Ca 0.46 -1.32 0.18 0.00 -2.50 0.00 0.00 54.97 51.78 1q80 s GLU 40 Cb -0.07 -4.16 0.45 0.00 0.00 0.00 0.00 34.13 30.35 1q80 s GLU 40 CO 0.29 -1.14 1.32 0.00 0.02 0.00 0.00 175.26 175.75 1q80 n MET 41 N 5.44 1.49 -1.28 4.30 0.00 -1.26 -4.77 117.12 121.04 1q80 n MET 41 Ca -0.11 -2.33 0.00 0.00 0.00 0.00 0.00 57.70 55.25 1q80 n MET 41 Cb 0.43 -0.56 0.00 0.00 0.00 0.00 0.00 33.22 33.09 1q80 n MET 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1q80 n LYS 42 N -1.03 0.00 -0.29 3.17 4.01 -1.26 -4.39 118.16 118.37 1q80 n LYS 42 Ca -0.06 0.00 0.21 0.00 -0.51 0.00 0.00 58.31 57.95 1q80 n LYS 42 Cb 0.84 -0.45 0.39 0.00 -0.51 0.00 0.00 35.03 35.30 1q80 n LYS 42 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1q80 n ALA 43 N 0.22 0.68 -0.34 7.82 0.00 -1.26 -1.29 120.51 126.35 1q80 n ALA 43 Ca 0.00 0.92 0.09 0.00 0.00 0.00 0.00 53.44 54.46 1q80 n ALA 43 Cb 0.00 -0.80 0.27 0.00 0.00 0.00 0.00 19.45 18.92 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 0.76 -0.01 0.00 3.07 -2.00 -2.92 114.58 113.48 1q80 h GLU 44 Ca 0.64 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1q80 h GLU 44 Cb 1.55 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1q80 h GLU 44 CO -0.75 0.51 0.01 1.25 -1.40 0.00 0.00 179.01 178.62 1q80 h HIS 45 N 0.79 0.00 -0.80 4.33 2.76 -1.46 -3.28 115.15 117.49 1q80 h HIS 45 Ca 0.52 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.81 1q80 h HIS 45 Cb 0.70 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.58 1q80 h HIS 45 CO -0.03 0.00 0.42 0.00 -1.30 0.00 0.00 177.93 177.02 1q80 h ALA 46 N 1.99 1.16 -0.05 5.26 0.00 -1.69 0.51 119.26 126.45 1q80 h ALA 46 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1q80 h ALA 46 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1q80 h ALA 46 CO -0.00 -0.03 0.00 -0.22 0.00 0.00 0.00 179.25 179.00 1q80 h LYS 47 N 0.66 0.08 -0.73 0.00 3.11 -1.81 -2.79 116.57 115.08 1q80 h LYS 47 Ca 0.41 -0.02 0.12 0.00 -2.81 0.00 0.00 60.65 58.34 1q80 h LYS 47 Cb 0.49 -0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 31.63 1q80 h LYS 47 CO -0.31 0.34 0.34 -0.24 -2.81 0.00 0.00 179.45 176.77 1q80 h VAL 48 N -0.19 0.77 -0.13 2.00 3.04 -1.62 -0.83 116.25 119.28 1q80 h VAL 48 Ca 0.01 -0.18 0.01 0.00 -1.01 0.00 0.00 66.70 65.52 1q80 h VAL 48 Cb 0.30 0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 29.75 1q80 h VAL 48 CO 0.00 0.10 0.07 0.25 -1.01 0.00 0.00 177.57 176.98 1q80 h LEU 49 N 0.54 0.11 -0.62 3.16 5.85 -0.94 -1.45 115.31 121.97 1q80 h LEU 49 Ca 0.38 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.02 1q80 h LEU 49 Cb 0.49 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1q80 h LEU 49 CO -0.33 0.09 0.06 -0.03 -0.34 0.00 0.00 178.44 177.89 1q80 h MET 50 N 0.15 1.04 0.12 1.25 4.05 -1.19 -1.31 114.93 119.04 1q80 h MET 50 Ca 0.05 -0.30 0.01 0.00 -0.28 0.00 0.00 59.70 59.17 1q80 h MET 50 Cb -0.00 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 1q80 h MET 50 CO -0.03 0.99 -0.12 -0.44 0.23 0.00 0.00 176.91 177.54 1q80 h ASP 51 N 0.95 -0.33 -0.39 1.39 3.32 -1.06 -0.74 116.42 119.55 1q80 h ASP 51 Ca 0.18 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 1q80 h ASP 51 Cb 0.48 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1q80 h ASP 51 CO 0.02 -0.19 -0.01 0.77 -1.72 0.00 0.00 179.24 178.11 1q80 h SER 52 N -0.27 0.69 0.01 6.45 4.64 -1.29 -0.12 113.55 123.66 1q80 h SER 52 Ca 0.01 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1q80 h SER 52 Cb 0.26 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1q80 h SER 52 CO -0.04 0.84 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.69 1q80 h LEU 53 N 0.52 -0.01 -1.08 5.97 3.38 -1.26 -2.77 115.31 120.06 1q80 h LEU 53 Ca 0.11 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1q80 h LEU 53 Cb 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1q80 h LEU 53 CO 0.02 0.39 0.50 0.71 0.09 0.00 0.00 178.44 180.15 1q80 h THR 54 N -0.41 1.23 -0.70 0.22 1.35 -1.22 -2.92 112.91 110.46 1q80 h THR 54 Ca -0.00 -0.51 0.08 0.00 -0.55 0.00 0.00 66.41 65.43 1q80 h THR 54 Cb 0.40 0.06 -0.04 0.00 -1.73 0.00 0.00 68.15 66.84 1q80 h THR 54 CO 0.00 0.24 0.46 1.23 -0.25 0.00 0.00 175.52 177.21 1q80 h GLY 55 N 1.16 0.87 0.61 5.82 0.00 -0.99 -1.48 103.07 109.06 1q80 h GLY 55 Ca 0.30 -0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.41 1q80 h GLY 55 CO -0.06 0.17 -0.05 -2.08 0.00 0.00 0.00 176.54 174.53 1q80 h VAL 56 N 0.64 0.80 0.53 4.60 2.07 -1.29 -0.65 116.25 122.96 1q80 h VAL 56 Ca 0.32 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.81 1q80 h VAL 56 Cb 0.39 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1q80 h VAL 56 CO -0.11 0.00 -0.25 -0.25 0.02 0.00 0.00 177.57 176.98 1q80 h TRP 57 N 0.01 -0.65 -0.93 1.57 2.91 -1.59 -0.76 115.95 116.50 1q80 h TRP 57 Ca 0.10 -0.02 0.19 0.00 1.13 0.00 0.00 58.89 60.29 1q80 h TRP 57 Cb 0.14 0.22 -0.08 0.00 -0.51 0.00 0.00 29.16 28.93 1q80 h TRP 57 CO -0.21 -0.41 0.60 -0.44 -1.03 0.00 0.00 178.44 176.95 1q80 h ASP 58 N -1.12 0.57 0.00 2.65 3.32 -1.27 -1.51 116.42 119.06 1q80 h ASP 58 Ca -0.07 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1q80 h ASP 58 Cb 0.54 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1q80 h ASP 58 CO 0.12 0.23 -1.95 0.59 -1.72 0.00 0.00 179.24 176.51 1q80 n ASN 59 N -4.59 0.68 0.02 6.45 5.03 -0.25 -4.82 115.26 117.78 1q80 n ASN 59 Ca 0.20 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.65 1q80 n ASN 59 Cb 0.61 1.61 0.00 0.00 -1.02 0.00 0.00 39.78 40.98 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 -2.29 -0.20 0.28 3.10 3.72 -0.94 -4.87 117.46 116.26 1q80 n PHE 60 Ca -0.10 0.04 0.13 0.00 -0.05 0.00 0.00 57.45 57.46 1q80 n PHE 60 Cb 0.65 0.18 0.81 0.00 -0.94 0.00 0.00 39.48 40.18 1q80 n PHE 60 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1q80 h LEU 61 N 0.00 0.00 -0.78 4.37 5.85 -1.11 -3.09 115.31 120.55 1q80 h LEU 61 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1q80 h LEU 61 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1q80 h LEU 61 CO 0.00 0.03 0.48 0.74 -0.34 0.00 0.00 178.44 179.36 1q80 h THR 62 N 0.00 1.08 0.00 1.05 2.02 -1.51 -3.09 112.91 112.46 1q80 h THR 62 Ca -0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1q80 h THR 62 Cb 0.08 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1q80 h THR 62 CO 0.00 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.06 1q80 n ALA 63 N -2.33 1.29 -0.03 6.16 0.00 -1.17 -1.40 120.51 123.03 1q80 n ALA 63 Ca 0.10 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 1q80 n ALA 63 Cb 0.12 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 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 1.46 -0.71 0.00 2.07 -1.75 -3.39 116.25 113.93 1q80 h VAL 64 Ca 0.00 -1.45 -0.40 0.00 0.82 0.00 0.00 66.70 65.67 1q80 h VAL 64 Cb 0.05 2.38 -0.41 0.00 -1.52 0.00 0.00 31.29 31.78 1q80 h VAL 64 CO 0.00 0.39 -0.99 0.00 0.02 0.00 0.00 177.57 176.99 1q80 n ALA 65 N -2.42 3.77 -0.92 1.67 0.00 -1.23 -4.99 120.51 116.39 1q80 n ALA 65 Ca -0.08 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.05 1q80 n ALA 65 Cb 0.34 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.56 0.25 0.00 0.00 0.00 -1.21 -3.11 105.19 100.56 1q80 n GLY 66 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.97 0.04 3.78 -0.02 0.00 -0.49 -4.43 105.19 103.10 1q80 n GLY 67 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.99 4.20 0.00 1.61 1.02 -1.18 -4.94 119.74 119.46 1q80 s LYS 68 Ca 0.00 0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.58 1q80 s LYS 68 Cb 0.00 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1q80 s LYS 68 CO 0.00 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 1q80 n GLY 69 N 2.33 0.00 3.57 -3.33 0.00 -1.26 -4.71 105.19 101.79 1q80 n GLY 69 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 5.28 0.73 -0.61 -1.09 -0.30 -4.79 121.20 120.42 1q80 s ILE 70 Ca 0.00 0.06 -0.11 0.00 -2.23 0.00 0.00 60.65 58.37 1q80 s ILE 70 Cb 0.00 -3.57 0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1q80 s ILE 70 CO 0.00 0.18 1.08 -1.81 -1.23 0.00 0.00 174.94 173.16 1q80 s ASP 71 N 1.75 5.07 0.18 3.58 1.11 -1.26 -1.31 116.67 125.79 1q80 s ASP 71 Ca 0.07 1.42 -0.12 0.00 0.18 0.00 0.00 52.55 54.10 1q80 s ASP 71 Cb -0.16 -2.24 0.09 0.00 1.07 0.00 0.00 42.92 41.67 1q80 s ASP 71 CO 0.11 -1.61 1.79 -0.08 1.18 0.00 0.00 175.17 176.55 1q80 h GLU 72 N -0.84 0.86 0.09 8.23 4.81 -1.99 -1.39 114.58 124.35 1q80 h GLU 72 Ca -0.45 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1q80 h GLU 72 Cb 1.24 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1q80 h GLU 72 CO 0.59 0.66 -0.04 1.79 -0.73 0.00 0.00 179.01 181.28 1q80 h THR 73 N 0.84 0.93 -0.41 0.32 1.35 -1.97 -1.09 112.91 112.87 1q80 h THR 73 Ca 0.22 -0.05 0.04 0.00 -0.55 0.00 0.00 66.41 66.07 1q80 h THR 73 Cb 0.06 0.96 -0.04 0.00 -1.73 0.00 0.00 68.15 67.40 1q80 h THR 73 CO -0.03 0.01 0.19 0.71 -0.25 0.00 0.00 175.52 176.15 1q80 h THR 74 N -0.14 0.95 0.54 6.82 1.35 -1.92 0.20 112.91 120.71 1q80 h THR 74 Ca -0.01 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 65.69 1q80 h THR 74 Cb 0.11 0.52 0.01 0.00 -1.73 0.00 0.00 68.15 67.06 1q80 h THR 74 CO 0.02 0.07 -0.26 0.15 -0.25 0.00 0.00 175.52 175.25 1q80 h PHE 75 N 0.39 -0.67 -0.20 4.73 3.57 -1.22 -1.30 116.94 122.23 1q80 h PHE 75 Ca 0.18 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1q80 h PHE 75 Cb 0.11 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1q80 h PHE 75 CO -0.11 -0.40 0.13 0.82 -2.23 0.00 0.00 178.31 176.51 1q80 h ILE 76 N -0.76 1.06 -0.41 1.41 1.08 -1.13 -0.08 117.51 118.69 1q80 h ILE 76 Ca -0.07 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1q80 h ILE 76 Cb 0.57 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 1q80 h ILE 76 CO 0.12 0.06 0.27 -1.13 -0.69 0.00 0.00 178.15 176.78 1q80 h ASN 77 N 0.26 0.47 0.20 1.72 -1.24 -0.63 -0.38 115.58 115.97 1q80 h ASN 77 Ca 0.07 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 1q80 h ASN 77 Cb -0.01 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 38.93 1q80 h ASN 77 CO -0.01 0.35 -0.09 0.28 -1.29 0.00 0.00 177.43 176.66 1q80 h SER 78 N 0.55 -0.22 0.08 1.15 0.02 -1.19 -3.26 113.55 110.68 1q80 h SER 78 Ca 0.15 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1q80 h SER 78 Cb -0.05 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1q80 h SER 78 CO -0.03 -0.02 -0.11 0.24 -1.14 0.00 0.00 176.83 175.77 1q80 h MET 79 N -0.42 0.08 -0.75 3.45 2.86 -0.96 -3.14 114.93 116.05 1q80 h MET 79 Ca -0.03 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.68 1q80 h MET 79 Cb 0.32 -0.01 -0.11 0.00 0.06 0.00 0.00 31.60 31.86 1q80 h MET 79 CO 0.04 0.20 -0.55 -0.22 1.06 0.00 0.00 176.91 177.44 1q80 h LYS 80 N 0.08 -0.16 0.00 1.72 3.64 -1.10 -1.15 116.57 119.60 1q80 h LYS 80 Ca 0.02 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1q80 h LYS 80 Cb 0.25 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1q80 h LYS 80 CO 0.02 -0.10 -0.00 1.49 -2.27 0.00 0.00 179.45 178.58 1q80 h GLU 81 N -0.16 -0.00 -1.00 1.90 4.22 -1.77 -3.39 114.58 114.38 1q80 h GLU 81 Ca 0.14 0.00 0.23 0.00 0.08 0.00 0.00 59.36 59.81 1q80 h GLU 81 Cb 0.50 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.65 1q80 h GLU 81 CO -0.80 0.84 0.62 0.52 -2.18 0.00 0.00 179.01 178.02 1q80 h MET 82 N -1.00 0.56 0.00 1.92 2.86 -1.48 -2.13 114.93 115.66 1q80 h MET 82 Ca -0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1q80 h MET 82 Cb 0.84 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 1q80 h MET 82 CO 0.00 0.37 -0.04 -0.39 1.06 0.00 0.00 176.91 177.91 1q80 h VAL 83 N 0.58 0.07 0.22 -2.22 -1.51 -1.43 -3.37 116.25 108.59 1q80 h VAL 83 Ca 0.59 -1.09 -0.28 0.00 -1.23 0.00 0.00 66.70 64.69 1q80 h VAL 83 Cb 1.18 2.02 0.03 0.00 -2.13 0.00 0.00 31.29 32.40 1q80 h VAL 83 CO -0.36 0.04 -1.25 0.11 -1.23 0.00 0.00 177.57 174.88 1q80 h LYS 84 N 0.00 0.46 -6.28 5.19 1.79 -1.59 -3.37 116.57 112.77 1q80 h LYS 84 Ca -0.00 -0.78 -0.56 0.00 -2.18 0.00 0.00 60.65 57.12 1q80 h LYS 84 Cb 1.02 0.29 -0.03 0.00 -1.58 0.00 0.00 32.23 31.94 1q80 h LYS 84 CO 0.01 1.37 1.11 1.21 -1.08 0.00 0.00 179.45 182.07 1q80 s ASN 85 N -7.37 6.42 0.56 0.86 3.84 -1.06 -4.95 114.94 113.23 1q80 s ASN 85 Ca -0.11 1.63 0.23 0.00 0.21 0.00 0.00 52.86 54.82 1q80 s ASN 85 Cb 0.03 -2.53 1.57 0.00 -0.55 0.00 0.00 41.25 39.77 1q80 s ASN 85 CO 0.91 -1.22 2.21 1.55 -2.79 0.00 0.00 177.10 177.75 1q80 h PRO 86 N 10.54 0.00 -0.13 0.43 0.13 -1.91 -3.07 132.00 137.99 1q80 h PRO 86 Ca -0.33 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.67 1q80 h PRO 86 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1q80 h PRO 86 CO 1.00 0.00 -0.41 1.49 -0.23 0.00 0.00 178.00 179.85 1q80 h GLU 87 N 0.00 0.51 0.00 0.86 4.57 -1.96 -3.32 114.58 115.23 1q80 h GLU 87 Ca 0.00 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 1q80 h GLU 87 Cb 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1q80 h GLU 87 CO -0.00 1.00 0.00 0.00 -1.18 0.00 0.00 179.01 178.83 1q80 n ALA 88 N -2.52 2.57 -0.34 2.92 0.00 -1.16 -4.55 120.51 117.43 1q80 n ALA 88 Ca -0.07 -0.18 0.17 0.00 0.00 0.00 0.00 53.44 53.36 1q80 n ALA 88 Cb 0.55 -1.48 0.33 0.00 0.00 0.00 0.00 19.45 18.86 1q80 n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1q80 n LYS 89 N -1.03 -0.08 -0.20 0.00 4.76 -1.22 -2.42 118.16 117.97 1q80 n LYS 89 Ca 0.21 1.48 0.20 0.00 -2.87 0.00 0.00 58.31 57.34 1q80 n LYS 89 Cb 0.11 -2.39 0.56 0.00 -1.84 0.00 0.00 35.03 31.47 1q80 n LYS 89 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1q80 h SER 90 N 0.00 0.30 0.19 4.39 4.64 -1.90 0.44 113.55 121.62 1q80 h SER 90 Ca 0.64 0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.87 1q80 h SER 90 Cb 1.38 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 1q80 h SER 90 CO -0.92 0.12 -0.43 -0.37 -0.87 0.00 0.00 176.83 174.37 1q80 h VAL 91 N 0.30 1.32 0.09 0.95 -1.51 -1.86 -0.70 116.25 114.84 1q80 h VAL 91 Ca 0.43 -1.58 -0.24 0.00 -1.23 0.00 0.00 66.70 64.09 1q80 h VAL 91 Cb 1.22 1.69 -0.00 0.00 -2.13 0.00 0.00 31.29 32.07 1q80 h VAL 91 CO -0.13 0.48 -1.19 0.58 -1.23 0.00 0.00 177.57 176.07 1q80 h VAL 92 N 0.25 1.15 -0.03 7.19 2.07 -1.44 -3.40 116.25 122.04 1q80 h VAL 92 Ca 0.02 -2.39 -0.20 0.00 0.82 0.00 0.00 66.70 64.96 1q80 h VAL 92 Cb 0.86 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 1q80 h VAL 92 CO 0.07 0.65 -0.83 -0.08 0.02 0.00 0.00 177.57 177.41 1q80 h GLU 93 N -0.45 0.32 -0.98 1.57 4.81 -0.25 -3.38 114.58 116.22 1q80 h GLU 93 Ca -0.26 -0.31 0.28 0.00 -0.13 0.00 0.00 59.36 58.94 1q80 h GLU 93 Cb 1.63 0.08 -0.18 0.00 0.63 0.00 0.00 28.75 30.90 1q80 h GLU 93 CO 0.03 0.98 0.08 0.78 -0.73 0.00 0.00 179.01 180.16 1q80 h GLY 94 N 1.47 1.33 1.85 1.92 0.00 -1.32 -1.08 103.07 107.23 1q80 h GLY 94 Ca -0.05 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1q80 h GLY 94 CO 0.14 -0.52 0.07 -2.55 0.00 0.00 0.00 176.54 173.67 1q80 h PRO 95 N 0.02 0.19 -0.12 4.80 0.11 -1.83 -3.32 132.00 131.85 1q80 h PRO 95 Ca 0.61 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.73 1q80 h PRO 95 Cb 1.29 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1q80 h PRO 95 CO -0.89 0.15 0.00 1.25 -0.21 0.00 0.00 178.00 178.31 1q80 h LEU 96 N 0.20 -0.04 -1.24 2.35 5.85 -1.44 -1.21 115.31 119.77 1q80 h LEU 96 Ca 0.05 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.89 1q80 h LEU 96 Cb 0.02 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1q80 h LEU 96 CO -0.01 -0.00 0.56 -0.65 -0.34 0.00 0.00 178.44 178.00 1q80 h PRO 97 N 0.04 0.82 -0.27 5.25 0.11 -1.71 -0.29 132.00 135.97 1q80 h PRO 97 Ca 0.06 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 1q80 h PRO 97 Cb 0.06 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 1q80 h PRO 97 CO -0.09 0.54 -0.09 -0.07 -0.21 0.00 0.00 178.00 178.08 1q80 h LEU 98 N 0.85 0.54 -0.84 2.35 -0.00 -1.66 -1.93 115.31 114.62 1q80 h LEU 98 Ca 0.40 -0.39 0.01 0.00 -0.00 0.00 0.00 57.88 57.90 1q80 h LEU 98 Cb 0.41 -0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 40.87 1q80 h LEU 98 CO -0.16 0.81 0.56 -0.26 -0.00 0.00 0.00 178.44 179.38 1q80 h PHE 99 N 0.28 1.06 -0.42 1.13 0.04 -0.89 -1.13 116.94 117.00 1q80 h PHE 99 Ca 0.06 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.92 1q80 h PHE 99 Cb 0.59 -0.36 -0.05 0.00 2.20 0.00 0.00 35.95 38.32 1q80 h PHE 99 CO 0.06 0.66 0.10 0.35 -0.60 0.00 0.00 178.31 178.88 1q80 h PHE 100 N 1.14 0.17 -0.36 -0.55 3.57 -0.99 0.63 116.94 120.56 1q80 h PHE 100 Ca 0.31 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.84 1q80 h PHE 100 Cb -0.12 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1q80 h PHE 100 CO -0.01 0.03 0.23 -0.09 -2.23 0.00 0.00 178.31 176.24 1q80 h ARG 101 N 0.24 0.47 -0.68 1.11 1.12 -1.06 -1.89 114.38 113.69 1q80 h ARG 101 Ca 0.20 -0.03 -0.05 0.00 -1.11 0.00 0.00 59.98 58.99 1q80 h ARG 101 Cb 0.24 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 30.06 1q80 h ARG 101 CO -0.25 0.32 0.22 0.00 -3.11 0.00 0.00 179.97 177.15 1q80 h ALA 102 N 1.12 0.90 0.00 2.80 0.00 -0.91 -3.19 119.26 119.98 1q80 h ALA 102 Ca 0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1q80 h ALA 102 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1q80 h ALA 102 CO -0.03 0.57 -0.41 0.28 0.00 0.00 0.00 179.25 179.66 1q80 h VAL 103 N 1.00 1.03 0.00 0.00 2.07 -0.81 -3.38 116.25 116.16 1q80 h VAL 103 Ca 0.22 -1.57 -0.48 0.00 0.82 0.00 0.00 66.70 65.69 1q80 h VAL 103 Cb 0.29 1.92 0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1q80 h VAL 103 CO -0.01 0.41 2.35 -0.67 0.02 0.00 0.00 177.57 179.67 1q80 n ASP 104 N -3.66 3.50 -0.28 0.57 2.03 -0.72 -4.79 116.55 113.20 1q80 n ASP 104 Ca -0.01 -2.46 0.10 0.00 0.52 0.00 0.00 54.79 52.94 1q80 n ASP 104 Cb 0.51 -1.05 0.25 0.00 -0.72 0.00 0.00 41.12 40.10 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 3.96 0.44 -0.00 5.18 1.03 -1.84 -1.88 112.91 119.79 1q80 h THR 105 Ca 0.43 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 66.73 1q80 h THR 105 Cb 0.38 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 67.59 1q80 h THR 105 CO 1.66 0.05 -0.11 -0.46 -0.01 0.00 0.00 175.52 176.65 1q80 n ASN 106 N -5.15 0.43 -1.97 0.00 0.23 -1.26 -4.24 115.26 103.29 1q80 n ASN 106 Ca 0.18 -0.50 -0.09 0.00 -0.53 0.00 0.00 54.58 53.64 1q80 n ASN 106 Cb 0.58 -0.09 0.04 0.00 -2.08 0.00 0.00 39.78 38.23 1q80 n ASN 106 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1q80 n GLU 107 N -1.01 -3.29 -0.06 -3.83 4.07 -0.71 -5.02 120.64 110.79 1q80 n GLU 107 Ca 0.14 0.37 -0.07 0.00 -0.06 0.00 0.00 57.16 57.55 1q80 n GLU 107 Cb 0.28 -4.01 -0.15 0.00 -0.06 0.00 0.00 31.44 27.50 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 -1.15 0.26 0.00 4.31 -0.08 -1.26 -5.02 116.55 113.61 1q80 n ASP 108 Ca -0.05 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1q80 n ASP 108 Cb 0.55 0.81 0.00 0.00 2.34 0.00 0.00 41.12 44.82 1q80 n ASP 108 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1q80 n ASN 109 N -2.77 -2.30 -3.83 1.67 0.23 -1.26 -5.07 115.26 101.93 1q80 n ASN 109 Ca -0.24 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.68 1q80 n ASN 109 Cb 1.05 -0.38 -0.14 0.00 -2.08 0.00 0.00 39.78 38.23 1q80 n ASN 109 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1q80 s ASN 110 N -2.28 -0.07 -0.27 0.53 0.01 -1.26 -4.56 114.94 107.04 1q80 s ASN 110 Ca 0.00 0.16 -0.10 0.00 -0.71 0.00 0.00 52.86 52.21 1q80 s ASN 110 Cb 0.00 0.14 -0.05 0.00 0.41 0.00 0.00 41.25 41.76 1q80 s ASN 110 CO 0.00 -0.04 0.16 -0.63 -1.51 0.00 0.00 177.10 175.08 1q80 s ILE 111 N 0.21 5.10 0.55 0.60 1.01 -0.64 -4.88 121.20 123.15 1q80 s ILE 111 Ca -0.01 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.72 1q80 s ILE 111 Cb -0.02 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 39.05 1q80 s ILE 111 CO -0.01 0.28 0.80 -0.94 0.00 0.00 0.00 174.94 175.07 1q80 s SER 112 N 1.66 5.46 0.35 3.58 1.04 -1.26 -0.57 113.70 123.95 1q80 s SER 112 Ca 0.07 0.31 0.12 0.00 0.48 0.00 0.00 55.95 56.93 1q80 s SER 112 Cb -0.16 -1.30 0.92 0.00 0.10 0.00 0.00 66.02 65.59 1q80 s SER 112 CO 0.09 -1.05 1.78 0.03 0.98 0.00 0.00 173.24 175.07 1q80 h ARG 113 N 0.03 0.55 -0.24 4.02 3.08 -2.00 -1.55 114.38 118.26 1q80 h ARG 113 Ca -0.44 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.51 1q80 h ARG 113 Cb 1.28 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1q80 h ARG 113 CO 0.57 0.37 -0.10 0.22 -1.07 0.00 0.00 179.97 179.95 1q80 h ASP 114 N 0.57 0.51 -0.49 7.04 1.82 -1.96 -1.34 116.42 122.57 1q80 h ASP 114 Ca 0.58 -0.40 -0.03 0.00 -0.39 0.00 0.00 57.03 56.79 1q80 h ASP 114 Cb 1.18 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 41.02 1q80 h ASP 114 CO -0.34 0.80 0.19 -0.33 -1.61 0.00 0.00 179.24 177.95 1q80 h GLU 115 N 0.23 0.73 -0.83 0.28 3.07 -1.78 0.59 114.58 116.86 1q80 h GLU 115 Ca 0.06 -0.13 0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1q80 h GLU 115 Cb 0.60 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.34 1q80 h GLU 115 CO 0.03 0.65 0.54 -0.92 -1.40 0.00 0.00 179.01 177.92 1q80 h TYR 116 N 0.64 1.02 -0.48 4.33 3.20 -1.35 -1.49 116.97 122.84 1q80 h TYR 116 Ca 0.16 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 1q80 h TYR 116 Cb 0.20 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1q80 h TYR 116 CO 0.00 0.61 0.29 0.78 -1.64 0.00 0.00 178.16 178.20 1q80 h GLY 117 N 1.07 0.70 0.92 1.82 0.00 -0.85 -1.64 103.07 105.09 1q80 h GLY 117 Ca 0.32 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.38 1q80 h GLY 117 CO -0.10 0.29 0.28 -2.22 0.00 0.00 0.00 176.54 174.79 1q80 h ILE 118 N 0.64 1.06 -0.13 2.60 5.03 -0.64 -0.32 117.51 125.76 1q80 h ILE 118 Ca 0.17 -0.19 0.04 0.00 -0.12 0.00 0.00 64.86 64.76 1q80 h ILE 118 Cb -0.00 0.45 -0.05 0.00 -3.03 0.00 0.00 36.82 34.18 1q80 h ILE 118 CO -0.03 0.10 -0.20 0.15 -0.68 0.00 0.00 178.15 177.49 1q80 h PHE 119 N 0.57 -0.53 -0.45 1.37 3.57 -1.14 -1.23 116.94 119.11 1q80 h PHE 119 Ca 0.18 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1q80 h PHE 119 Cb -0.01 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1q80 h PHE 119 CO -0.06 -0.28 0.24 0.74 -2.23 0.00 0.00 178.31 176.71 1q80 h PHE 120 N -0.26 0.44 -0.78 0.41 -1.00 -1.08 -2.44 116.94 112.23 1q80 h PHE 120 Ca 0.10 0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.95 1q80 h PHE 120 Cb 0.40 -0.13 -0.06 0.00 3.61 0.00 0.00 35.95 39.77 1q80 h PHE 120 CO -0.31 0.23 0.48 0.78 -1.61 0.00 0.00 178.31 177.88 1q80 h GLY 121 N 0.47 1.16 0.98 -1.45 0.00 -0.80 -2.42 103.07 101.01 1q80 h GLY 121 Ca 0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1q80 h GLY 121 CO -0.12 0.25 0.26 -0.33 0.00 0.00 0.00 176.54 176.59 1q80 h MET 122 N 0.89 0.81 0.00 4.80 2.86 -0.91 -2.71 114.93 120.67 1q80 h MET 122 Ca 0.34 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1q80 h MET 122 Cb 0.13 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1q80 h MET 122 CO -0.16 0.67 0.00 -0.07 1.06 0.00 0.00 176.91 178.42 1q80 h LEU 123 N 0.75 0.00 -0.91 1.22 -0.00 -1.37 -3.47 115.31 111.53 1q80 h LEU 123 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1q80 h LEU 123 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1q80 h LEU 123 CO -0.02 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.03 1q80 n GLY 124 N -1.13 0.62 0.00 0.83 0.00 -1.02 -5.08 105.19 99.40 1q80 n GLY 124 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.46 0.00 -3.66 0.99 4.77 -0.92 -5.04 117.00 112.68 1q80 n LEU 125 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1q80 n LEU 125 Cb 0.20 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1q80 n LEU 125 CO 0.00 0.00 0.18 -0.62 -1.33 0.00 0.00 177.39 175.62 1q80 s ASP 126 N 1.00 -0.74 0.29 -1.43 2.15 -1.26 -4.91 116.67 111.77 1q80 s ASP 126 Ca 0.00 1.27 0.02 0.00 0.43 0.00 0.00 52.55 54.27 1q80 s ASP 126 Cb 0.00 1.54 0.57 0.00 -0.30 0.00 0.00 42.92 44.73 1q80 s ASP 126 CO 0.00 -0.22 1.84 0.50 -0.17 0.00 0.00 175.17 177.12 1q80 h LYS 127 N 7.65 0.96 -0.01 4.34 3.64 -1.89 -1.66 116.57 129.60 1q80 h LYS 127 Ca -0.24 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1q80 h LYS 127 Cb 1.15 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1q80 h LYS 127 CO 0.16 0.63 0.05 1.79 -2.27 0.00 0.00 179.45 179.81 1q80 h THR 128 N 0.99 0.14 0.00 1.00 1.35 -1.97 -2.47 112.91 111.95 1q80 h THR 128 Ca 0.49 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 66.21 1q80 h THR 128 Cb 0.49 0.95 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 1q80 h THR 128 CO -0.26 0.00 -0.68 -0.03 -0.25 0.00 0.00 175.52 174.30 1q80 h MET 129 N 0.00 0.00 -0.23 4.72 1.85 -1.73 -3.38 114.93 116.16 1q80 h MET 129 Ca 0.01 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.12 1q80 h MET 129 Cb 0.11 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.12 1q80 h MET 129 CO -0.00 0.68 0.08 0.00 -0.40 0.00 0.00 176.91 177.27 1q80 h ALA 130 N 1.32 0.25 -0.73 0.39 0.00 -1.55 -3.22 119.26 115.72 1q80 h ALA 130 Ca -0.01 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.08 1q80 h ALA 130 Cb 1.31 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1q80 h ALA 130 CO 0.09 -0.34 0.23 -1.35 0.00 0.00 0.00 179.25 177.88 1q80 h PRO 131 N 0.18 0.33 -0.29 0.00 0.11 -1.76 -0.42 132.00 130.16 1q80 h PRO 131 Ca 0.10 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.22 1q80 h PRO 131 Cb 0.07 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1q80 h PRO 131 CO -0.10 0.22 0.13 0.00 -0.21 0.00 0.00 178.00 178.03 1q80 h ALA 132 N 1.57 0.35 -0.52 -0.75 0.00 -1.80 -0.33 119.26 117.78 1q80 h ALA 132 Ca 0.41 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.22 1q80 h ALA 132 Cb 0.66 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1q80 h ALA 132 CO -0.45 -0.27 -0.15 1.03 0.00 0.00 0.00 179.25 179.41 1q80 h SER 133 N 0.27 1.03 0.01 0.00 0.87 -1.51 -3.25 113.55 110.97 1q80 h SER 133 Ca 0.13 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1q80 h SER 133 Cb 0.07 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 1q80 h SER 133 CO -0.11 1.16 -0.01 0.15 -0.53 0.00 0.00 176.83 177.50 1q80 h PHE 134 N 0.89 -0.01 -0.90 2.24 3.04 -0.87 -3.10 116.94 118.23 1q80 h PHE 134 Ca 0.13 -0.00 0.20 0.00 3.98 0.00 0.00 57.97 62.28 1q80 h PHE 134 Cb 0.73 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.17 1q80 h PHE 134 CO 0.05 0.01 0.59 -0.44 -2.02 0.00 0.00 178.31 176.50 1q80 h ASP 135 N -0.03 0.42 0.43 0.41 5.19 -1.12 -0.63 116.42 121.08 1q80 h ASP 135 Ca -0.00 0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.37 1q80 h ASP 135 Cb 0.03 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 1q80 h ASP 135 CO 0.00 0.17 -0.37 0.00 -3.12 0.00 0.00 179.24 175.92 1q80 h ALA 136 N 1.61 1.32 0.05 3.45 0.00 -1.57 -3.30 119.26 120.82 1q80 h ALA 136 Ca 0.47 -0.34 -0.30 0.00 0.00 0.00 0.00 54.91 54.74 1q80 h ALA 136 Cb 1.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1q80 h ALA 136 CO -0.18 0.46 -1.67 0.82 0.00 0.00 0.00 179.25 178.68 1q80 h ILE 137 N 0.00 0.94 0.00 0.00 2.04 -1.18 -3.43 117.51 115.88 1q80 h ILE 137 Ca -0.00 -2.72 -0.10 0.00 1.00 0.00 0.00 64.86 63.04 1q80 h ILE 137 Cb 0.68 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1q80 h ILE 137 CO 0.05 0.67 0.67 -0.67 0.00 0.00 0.00 178.15 178.87 1q80 n ASP 138 N -3.23 1.93 -0.19 1.72 2.03 -0.53 -4.65 116.55 113.63 1q80 n ASP 138 Ca -0.18 -1.91 -0.06 0.00 0.52 0.00 0.00 54.79 53.17 1q80 n ASP 138 Cb 1.04 -0.55 0.10 0.00 -0.72 0.00 0.00 41.12 40.99 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 2.96 1.25 0.00 5.18 2.02 -1.85 -3.02 112.91 119.45 1q80 h THR 139 Ca 0.12 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1q80 h THR 139 Cb 0.37 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1q80 h THR 139 CO 0.64 0.36 0.00 -0.46 0.37 0.00 0.00 175.52 176.43 1q80 n ASN 140 N -4.23 0.63 -2.58 4.18 6.94 -1.26 -4.96 115.26 113.97 1q80 n ASN 140 Ca 0.04 0.64 -0.16 0.00 -0.02 0.00 0.00 54.58 55.08 1q80 n ASN 140 Cb 0.27 -0.78 0.05 0.00 -2.36 0.00 0.00 39.78 36.97 1q80 n ASN 140 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1q80 n ASN 141 N -2.17 -4.86 -0.00 0.53 3.02 -1.14 -4.99 115.26 105.63 1q80 n ASN 141 Ca 0.03 -0.36 0.11 0.00 -0.03 0.00 0.00 54.58 54.32 1q80 n ASN 141 Cb 0.25 -3.55 -0.14 0.00 -0.61 0.00 0.00 39.78 35.73 1q80 n ASN 141 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1q80 n ASP 142 N -1.57 0.49 0.00 6.41 8.00 -1.26 -5.00 116.55 123.61 1q80 n ASP 142 Ca -0.00 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.03 1q80 n ASP 142 Cb 0.54 1.48 0.00 0.00 -0.02 0.00 0.00 41.12 43.13 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 1.37 1.65 3.35 0.44 0.00 -1.26 -5.04 105.19 105.71 1q80 n GLY 143 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 2.43 -0.41 0.99 2.01 -1.26 -4.20 118.68 118.23 1q80 s LEU 144 Ca 0.00 -0.85 -0.15 0.00 0.01 0.00 0.00 54.13 53.14 1q80 s LEU 144 Cb 0.00 -0.90 0.02 0.00 0.01 0.00 0.00 46.19 45.32 1q80 s LEU 144 CO 0.00 0.00 0.30 -0.76 1.01 0.00 0.00 176.35 176.91 1q80 s LEU 145 N -2.61 5.12 0.97 1.79 1.43 0.26 -4.91 118.68 120.73 1q80 s LEU 145 Ca 0.16 -0.91 -0.16 0.00 -1.03 0.00 0.00 54.13 52.19 1q80 s LEU 145 Cb -0.06 -2.16 0.20 0.00 0.03 0.00 0.00 46.19 44.20 1q80 s LEU 145 CO 0.07 -0.45 1.31 -0.94 0.23 0.00 0.00 176.35 176.57 1q80 s SER 146 N 1.69 3.03 0.09 2.29 1.04 -1.26 -1.62 113.70 118.96 1q80 s SER 146 Ca 0.05 0.30 -0.23 0.00 0.48 0.00 0.00 55.95 56.55 1q80 s SER 146 Cb -0.19 -0.36 -0.15 0.00 0.10 0.00 0.00 66.02 65.42 1q80 s SER 146 CO 0.10 -2.79 1.74 0.25 0.98 0.00 0.00 173.24 173.52 1q80 h LEU 147 N -1.68 -0.02 -0.95 2.42 5.85 -1.99 -2.28 115.31 116.66 1q80 h LEU 147 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1q80 h LEU 147 Cb 1.24 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 1q80 h LEU 147 CO 0.38 -0.02 0.61 1.05 -0.34 0.00 0.00 178.44 180.12 1q80 h GLU 148 N -0.03 1.27 0.11 1.25 9.09 -1.98 0.38 114.58 124.68 1q80 h GLU 148 Ca -0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 59.36 59.31 1q80 h GLU 148 Cb 0.02 -0.28 0.00 0.00 -1.65 0.00 0.00 28.75 26.84 1q80 h GLU 148 CO 0.00 0.86 -0.05 0.93 0.05 0.00 0.00 179.01 180.80 1q80 h GLU 149 N 1.30 -0.14 -0.42 1.06 4.39 -1.91 -0.66 114.58 118.21 1q80 h GLU 149 Ca 0.35 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1q80 h GLU 149 Cb -0.11 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1q80 h GLU 149 CO -0.07 0.14 0.27 0.35 -1.16 0.00 0.00 179.01 178.54 1q80 h PHE 150 N -0.42 0.53 -0.21 4.33 3.04 -1.30 -1.69 116.94 121.21 1q80 h PHE 150 Ca -0.02 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 1q80 h PHE 150 Cb 0.34 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 1q80 h PHE 150 CO 0.02 0.34 0.04 0.28 -2.02 0.00 0.00 178.31 176.96 1q80 h VAL 151 N 0.56 1.22 0.66 1.41 2.07 -0.95 -0.93 116.25 120.29 1q80 h VAL 151 Ca 0.15 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1q80 h VAL 151 Cb -0.06 1.29 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1q80 h VAL 151 CO -0.03 0.22 -0.32 0.40 0.02 0.00 0.00 177.57 177.86 1q80 h ILE 152 N 0.15 0.33 -0.65 4.57 2.04 -1.08 -1.54 117.51 121.33 1q80 h ILE 152 Ca 0.06 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1q80 h ILE 152 Cb 0.30 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1q80 h ILE 152 CO 0.00 0.01 0.30 0.00 0.00 0.00 0.00 178.15 178.47 1q80 h ALA 153 N -0.63 1.31 -0.46 1.87 0.00 -1.39 -0.66 119.26 119.30 1q80 h ALA 153 Ca -0.09 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1q80 h ALA 153 Cb 0.70 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1q80 h ALA 153 CO 0.15 0.53 0.01 0.78 0.00 0.00 0.00 179.25 180.72 1q80 h GLY 154 N 1.00 0.86 1.19 0.00 0.00 -1.17 0.06 103.07 105.00 1q80 h GLY 154 Ca 0.22 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1q80 h GLY 154 CO -0.03 0.57 0.52 1.48 0.00 0.00 0.00 176.54 179.09 1q80 h SER 155 N 0.64 0.95 -0.25 0.19 4.64 -1.05 -2.30 113.55 116.38 1q80 h SER 155 Ca 0.13 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 1q80 h SER 155 Cb 0.48 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1q80 h SER 155 CO 0.02 0.71 0.01 -0.78 -0.87 0.00 0.00 176.83 175.92 1q80 h ASP 156 N 1.11 0.42 -0.70 4.97 3.58 -0.98 -1.45 116.42 123.36 1q80 h ASP 156 Ca 0.30 -0.30 0.14 0.00 0.42 0.00 0.00 57.03 57.59 1q80 h ASP 156 Cb -0.10 -0.11 -0.10 0.00 1.72 0.00 0.00 39.33 40.75 1q80 h ASP 156 CO -0.06 0.61 0.22 0.15 -2.88 0.00 0.00 179.24 177.28 1q80 h PHE 157 N 0.21 0.36 -0.43 0.28 3.57 -0.77 0.89 116.94 121.06 1q80 h PHE 157 Ca 0.07 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1q80 h PHE 157 Cb 0.39 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1q80 h PHE 157 CO 0.03 -0.00 0.14 0.74 -2.23 0.00 0.00 178.31 176.99 1q80 h PHE 158 N 0.35 0.68 0.21 0.41 0.04 -1.32 -3.35 116.94 113.97 1q80 h PHE 158 Ca 0.38 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 61.08 1q80 h PHE 158 Cb 0.60 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1q80 h PHE 158 CO -0.21 0.62 -0.10 0.52 -0.60 0.00 0.00 178.31 178.54 1q80 h MET 159 N 0.55 -0.27 -6.01 1.51 2.86 -0.60 -3.45 114.93 109.52 1q80 h MET 159 Ca 0.14 0.02 -0.77 0.00 -2.06 0.00 0.00 59.70 57.02 1q80 h MET 159 Cb 0.25 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1q80 h MET 159 CO -0.01 0.11 1.20 0.09 1.06 0.00 0.00 176.91 179.36 1q80 n ASN 160 N -5.02 1.14 -0.03 1.22 3.02 0.25 -4.90 115.26 110.95 1q80 n ASN 160 Ca -0.09 0.76 -0.01 0.00 -0.03 0.00 0.00 54.58 55.21 1q80 n ASN 160 Cb 0.26 -0.97 -0.00 0.00 -0.61 0.00 0.00 39.78 38.46 1q80 n ASN 160 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1q80 h ASP 161 N 8.67 0.00 -2.66 6.41 1.82 -1.91 -3.42 116.42 125.33 1q80 h ASP 161 Ca -0.21 0.00 -0.67 0.00 -0.39 0.00 0.00 57.03 55.77 1q80 h ASP 161 Cb 1.39 0.00 -0.17 0.00 0.68 0.00 0.00 39.33 41.23 1q80 h ASP 161 CO 1.05 0.27 0.53 -0.83 -1.61 0.00 0.00 179.24 178.65 1q80 s GLY 162 N -3.06 1.64 0.00 -0.78 0.00 -1.26 -3.48 107.32 100.38 1q80 s GLY 162 Ca -0.05 -2.22 0.00 0.00 0.00 0.00 0.00 44.72 42.45 1q80 s GLY 162 CO 0.07 1.93 0.00 1.34 0.00 0.00 0.00 173.10 176.44 1q80 n ASP 163 N 7.01 0.00 0.00 1.64 2.03 -1.26 -5.06 116.55 120.90 1q80 n ASP 163 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1q80 n ASP 163 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1q80 n ASP 163 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1q80 n SER 164 N 4.97 0.00 -0.03 1.67 2.88 -1.26 -4.65 113.62 117.19 1q80 n SER 164 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1q80 n SER 164 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1q80 n SER 164 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1q80 h THR 165 N 0.00 1.36 0.00 2.46 1.35 -1.97 -3.09 112.91 113.01 1q80 h THR 165 Ca 0.00 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 1q80 h THR 165 Cb 0.00 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1q80 h THR 165 CO 0.00 0.33 0.00 -0.46 -0.25 0.00 0.00 175.52 175.14 1q80 n ASN 166 N -4.71 2.12 0.20 5.36 6.94 -1.26 -4.06 115.26 119.86 1q80 n ASN 166 Ca -0.07 -1.99 0.08 0.00 -0.02 0.00 0.00 54.58 52.58 1q80 n ASN 166 Cb 0.30 -0.50 0.37 0.00 -2.36 0.00 0.00 39.78 37.60 1q80 n ASN 166 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 1q80 h LYS 167 N 0.01 0.00 -3.64 -3.83 2.10 -1.80 -3.32 116.57 106.09 1q80 h LYS 167 Ca 0.00 0.00 -0.80 0.00 -2.00 0.00 0.00 60.65 57.85 1q80 h LYS 167 Cb 0.78 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 31.83 1q80 h LYS 167 CO 0.00 0.29 0.35 0.08 -2.00 0.00 0.00 179.45 178.17 1q80 s VAL 168 N -3.56 5.88 -0.45 0.07 1.01 -1.26 -4.75 120.40 117.35 1q80 s VAL 168 Ca 0.01 -3.17 0.23 0.00 0.00 0.00 0.00 61.98 59.04 1q80 s VAL 168 Cb 0.10 -4.56 -0.08 0.00 0.00 0.00 0.00 36.38 31.84 1q80 s VAL 168 CO 0.66 -1.14 1.01 0.33 0.00 0.00 0.00 175.10 175.96 1q80 n PHE 169 N 3.04 0.48 -2.17 5.22 -0.00 -1.25 -4.84 117.46 117.93 1q80 n PHE 169 Ca 0.21 0.14 -0.03 0.00 -0.00 0.00 0.00 57.45 57.77 1q80 n PHE 169 Cb 0.41 -0.62 0.08 0.00 -0.00 0.00 0.00 39.48 39.36 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 -2.22 0.90 -4.87 -5.13 7.02 -1.26 -5.11 117.44 106.78 1q80 n TRP 170 Ca 0.01 -1.54 0.00 0.00 -1.02 0.00 0.00 57.50 54.95 1q80 n TRP 170 Cb 0.48 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.13 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 -0.51 1.90 3.63 6.99 0.00 -1.26 -4.91 105.19 111.03 1q80 n GLY 171 Ca 0.19 -0.54 -0.48 0.00 0.00 0.00 0.00 46.02 45.20 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 7.99 1.63 -2.45 1.61 -0.02 -1.26 -4.88 135.00 137.62 1q80 n PRO 172 Ca 0.00 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 1q80 n PRO 172 Cb 0.00 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 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 0.53 4.20 0.00 2.45 1.43 -1.26 -4.98 118.68 121.05 1q80 s LEU 173 Ca 0.76 1.69 0.14 0.00 -1.03 0.00 0.00 54.13 55.70 1q80 s LEU 173 Cb -0.78 -3.54 0.84 0.00 0.03 0.00 0.00 46.19 42.73 1q80 s LEU 173 CO 0.47 -0.71 1.26 1.33 0.23 0.00 0.00 176.35 178.92