#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 -1.23 -0.68 6.43 3.58 -1.99 -0.88 116.42 121.65 1q80 h ASP 2 Ca 0.00 0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 1q80 h ASP 2 Cb 0.00 0.50 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1q80 h ASP 2 CO 0.00 -0.42 0.32 -0.07 -2.88 0.00 0.00 179.24 176.20 1q80 h LEU 3 N -0.48 0.92 -0.03 2.28 3.38 -1.94 -0.79 115.31 118.64 1q80 h LEU 3 Ca 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1q80 h LEU 3 Cb 0.61 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1q80 h LEU 3 CO -0.37 0.79 0.00 -0.25 0.09 0.00 0.00 178.44 178.70 1q80 h TRP 4 N 1.00 0.06 -0.87 1.13 7.01 -1.39 -1.58 115.95 121.30 1q80 h TRP 4 Ca 0.24 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.21 1q80 h TRP 4 Cb 0.13 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.13 1q80 h TRP 4 CO 0.01 0.33 0.47 -0.24 -2.79 0.00 0.00 178.44 176.22 1q80 h VAL 5 N -0.23 1.25 -0.73 2.65 3.04 -1.09 -2.39 116.25 118.76 1q80 h VAL 5 Ca 0.01 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1q80 h VAL 5 Cb 0.31 0.09 -0.04 0.00 -2.01 0.00 0.00 31.29 29.64 1q80 h VAL 5 CO 0.00 0.29 0.47 1.56 -1.01 0.00 0.00 177.57 178.88 1q80 h GLN 6 N 1.22 0.96 0.17 4.17 4.20 -1.13 -0.08 115.11 124.62 1q80 h GLN 6 Ca 0.31 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 1q80 h GLN 6 Cb 0.04 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 1q80 h GLN 6 CO -0.05 0.65 -0.09 0.87 -0.67 0.00 0.00 178.83 179.54 1q80 h LYS 7 N 0.99 -0.23 -0.99 1.46 1.57 -1.04 -0.77 116.57 117.56 1q80 h LYS 7 Ca 0.27 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.09 1q80 h LYS 7 Cb -0.10 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 1q80 h LYS 7 CO -0.06 -0.15 0.65 0.52 -0.57 0.00 0.00 179.45 179.84 1q80 h MET 8 N -0.24 1.24 -0.93 3.15 2.86 -1.33 -1.61 114.93 118.08 1q80 h MET 8 Ca -0.02 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1q80 h MET 8 Cb 0.19 -0.28 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 1q80 h MET 8 CO 0.03 0.82 0.56 0.87 1.06 0.00 0.00 176.91 180.25 1q80 h LYS 9 N 1.28 1.26 0.43 1.72 1.57 -0.87 0.70 116.57 122.66 1q80 h LYS 9 Ca 0.38 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1q80 h LYS 9 Cb -0.05 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 31.97 1q80 h LYS 9 CO -0.11 0.88 -0.52 1.15 -0.57 0.00 0.00 179.45 180.29 1q80 h THR 10 N 1.28 0.00 -0.80 -0.16 2.02 -0.23 -0.87 112.91 114.15 1q80 h THR 10 Ca 0.33 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.49 1q80 h THR 10 Cb -0.05 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.32 1q80 h THR 10 CO -0.06 0.00 0.42 0.22 0.37 0.00 0.00 175.52 176.47 1q80 h TYR 11 N -0.97 1.11 0.63 3.16 5.03 -1.31 -1.82 116.97 122.80 1q80 h TYR 11 Ca -0.05 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.20 1q80 h TYR 11 Cb 0.86 -0.35 -0.00 0.00 1.55 0.00 0.00 36.73 38.79 1q80 h TYR 11 CO -0.30 0.78 -0.39 0.35 -1.32 0.00 0.00 178.16 177.29 1q80 h PHE 12 N 1.11 -1.02 -0.24 -3.82 3.04 -0.74 0.11 116.94 115.38 1q80 h PHE 12 Ca 0.28 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 1q80 h PHE 12 Cb 0.06 0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1q80 h PHE 12 CO 0.01 -0.58 0.07 -0.97 -2.02 0.00 0.00 178.31 174.81 1q80 h ASN 13 N -0.96 0.30 -0.03 0.41 -1.24 -1.15 -1.66 115.58 111.26 1q80 h ASN 13 Ca -0.08 -0.03 -0.04 0.00 0.71 0.00 0.00 56.30 56.87 1q80 h ASN 13 Cb 0.77 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.75 1q80 h ASN 13 CO 0.08 0.30 -0.13 0.03 -1.29 0.00 0.00 177.43 176.42 1q80 h ARG 14 N 0.34 0.14 0.00 6.67 -0.00 -1.19 -3.34 114.38 116.99 1q80 h ARG 14 Ca 0.08 -0.11 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 1q80 h ARG 14 Cb 0.11 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.11 1q80 h ARG 14 CO -0.01 0.76 0.00 0.97 0.00 0.00 0.00 179.97 181.69 1q80 h ILE 15 N -0.45 0.00 0.00 2.04 6.09 -0.68 -3.39 117.51 121.12 1q80 h ILE 15 Ca -0.01 -0.37 -0.61 0.00 -1.37 0.00 0.00 64.86 62.49 1q80 h ILE 15 Cb 0.78 1.22 0.01 0.00 0.47 0.00 0.00 36.82 39.30 1q80 h ILE 15 CO 0.03 0.00 3.09 -0.67 -3.07 0.00 0.00 178.15 177.53 1q80 n ASP 16 N -2.48 5.37 -0.11 2.19 2.03 -0.63 -4.80 116.55 118.12 1q80 n ASP 16 Ca 0.02 -2.61 -0.09 0.00 0.52 0.00 0.00 54.79 52.63 1q80 n ASP 16 Cb 0.30 -1.40 -0.01 0.00 -0.72 0.00 0.00 41.12 39.28 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 6.11 0.47 0.00 -0.67 3.57 -1.86 -2.92 116.94 121.64 1q80 h PHE 17 Ca 0.62 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.11 1q80 h PHE 17 Cb 0.43 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1q80 h PHE 17 CO 1.66 0.37 0.00 -0.40 -2.23 0.00 0.00 178.31 177.71 1q80 n ASP 18 N -4.78 0.00 -3.01 0.41 5.68 -1.26 -4.97 116.55 108.62 1q80 n ASP 18 Ca -0.01 0.32 -0.22 0.00 -0.50 0.00 0.00 54.79 54.38 1q80 n ASP 18 Cb 0.07 -0.43 0.03 0.00 -1.14 0.00 0.00 41.12 39.65 1q80 n ASP 18 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1q80 n LYS 19 N -1.43 -4.57 0.19 0.11 4.76 -1.11 -4.96 118.16 111.16 1q80 n LYS 19 Ca 0.07 0.88 0.12 0.00 -2.87 0.00 0.00 58.31 56.51 1q80 n LYS 19 Cb 0.23 -5.72 0.20 0.00 -1.84 0.00 0.00 35.03 27.90 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 -1.26 0.00 0.00 4.39 1.82 -1.93 -3.48 116.42 115.96 1q80 h ASP 20 Ca -0.52 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 1q80 h ASP 20 Cb 1.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.37 1q80 h ASP 20 CO 0.57 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.81 1q80 n GLY 21 N 1.15 0.46 2.79 -0.78 0.00 -1.26 -5.09 105.19 102.46 1q80 n GLY 21 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 0.32 -0.20 4.61 0.00 -1.26 -4.44 121.76 118.78 1q80 s ALA 22 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 1q80 s ALA 22 Cb 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1q80 s ALA 22 CO 0.00 -0.16 1.46 0.42 0.00 0.00 0.00 175.76 177.48 1q80 s ILE 23 N 1.23 3.93 0.35 0.00 -1.09 -0.38 -4.45 121.20 120.80 1q80 s ILE 23 Ca -0.07 1.09 0.04 0.00 -2.23 0.00 0.00 60.65 59.48 1q80 s ILE 23 Cb -0.13 -3.85 -0.06 0.00 -1.58 0.00 0.00 42.46 36.84 1q80 s ILE 23 CO -0.02 -0.26 0.05 0.42 -1.23 0.00 0.00 174.94 173.90 1q80 s THR 24 N 4.37 1.32 0.45 2.92 -4.23 -1.26 -0.40 115.64 118.80 1q80 s THR 24 Ca 0.64 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.51 1q80 s THR 24 Cb -0.24 -2.79 0.39 0.00 1.34 0.00 0.00 72.50 71.20 1q80 s THR 24 CO 0.24 0.00 2.19 -0.09 -0.54 0.00 0.00 174.62 176.42 1q80 h ARG 25 N 2.00 0.00 -0.81 3.99 2.43 -1.95 -2.84 114.38 117.20 1q80 h ARG 25 Ca -0.41 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.86 1q80 h ARG 25 Cb 1.25 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 1q80 h ARG 25 CO 0.71 0.03 0.53 0.52 -1.51 0.00 0.00 179.97 180.25 1q80 h MET 26 N 0.00 0.70 -0.32 0.20 2.86 -1.99 -1.05 114.93 115.33 1q80 h MET 26 Ca -0.00 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1q80 h MET 26 Cb 0.22 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1q80 h MET 26 CO 0.00 0.47 0.19 -0.44 1.06 0.00 0.00 176.91 178.19 1q80 h ASP 27 N 0.72 0.39 -0.02 1.22 3.32 -1.85 -0.98 116.42 119.23 1q80 h ASP 27 Ca 0.38 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 1q80 h ASP 27 Cb 0.48 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1q80 h ASP 27 CO -0.15 0.33 -0.00 -0.26 -1.72 0.00 0.00 179.24 177.44 1q80 h PHE 28 N 0.42 0.03 -0.61 4.55 -1.00 -1.55 0.78 116.94 119.55 1q80 h PHE 28 Ca 0.12 -0.01 0.08 0.00 2.81 0.00 0.00 57.97 60.97 1q80 h PHE 28 Cb 0.01 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 39.50 1q80 h PHE 28 CO -0.04 0.33 0.28 0.93 -1.61 0.00 0.00 178.31 178.20 1q80 h GLU 29 N -0.28 0.49 -0.17 1.51 3.07 -1.22 -0.58 114.58 117.40 1q80 h GLU 29 Ca 0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1q80 h GLU 29 Cb 0.32 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1q80 h GLU 29 CO 0.00 0.32 0.09 0.77 -1.40 0.00 0.00 179.01 178.80 1q80 h SER 30 N 0.50 0.21 -0.61 1.42 0.02 -1.14 -2.62 113.55 111.34 1q80 h SER 30 Ca 0.29 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1q80 h SER 30 Cb 0.29 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1q80 h SER 30 CO -0.25 0.23 0.40 0.24 -1.14 0.00 0.00 176.83 176.31 1q80 h MET 31 N 0.17 0.81 0.67 3.45 2.86 -0.50 -0.14 114.93 122.24 1q80 h MET 31 Ca 0.06 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1q80 h MET 31 Cb 0.07 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.55 1q80 h MET 31 CO -0.01 0.54 -0.32 0.00 1.06 0.00 0.00 176.91 178.18 1q80 h ALA 32 N 1.22 -0.90 -0.46 6.32 0.00 -1.07 0.01 119.26 124.38 1q80 h ALA 32 Ca 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1q80 h ALA 32 Cb -0.08 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1q80 h ALA 32 CO -0.05 -0.98 0.18 1.49 0.00 0.00 0.00 179.25 179.88 1q80 h GLU 33 N -0.95 0.70 -0.64 0.00 4.81 -1.52 -1.57 114.58 115.40 1q80 h GLU 33 Ca -0.09 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 58.96 1q80 h GLU 33 Cb 0.71 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1q80 h GLU 33 CO 0.15 0.64 0.20 -0.09 -0.73 0.00 0.00 179.01 179.19 1q80 h ARG 34 N 0.60 1.00 -0.16 1.92 9.65 -1.06 -0.77 114.38 125.57 1q80 h ARG 34 Ca 0.15 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1q80 h ARG 34 Cb 0.21 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 1q80 h ARG 34 CO -0.01 0.87 0.04 0.35 2.80 0.00 0.00 179.97 184.02 1q80 h PHE 35 N 0.93 0.26 -0.81 2.20 3.57 -0.93 -1.54 116.94 120.61 1q80 h PHE 35 Ca 0.21 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.75 1q80 h PHE 35 Cb 0.29 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 1q80 h PHE 35 CO 0.02 0.38 0.47 0.00 -2.23 0.00 0.00 178.31 176.96 1q80 h ALA 36 N 0.85 1.12 0.13 2.41 0.00 -1.21 -1.84 119.26 120.72 1q80 h ALA 36 Ca 0.05 0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.67 1q80 h ALA 36 Cb 0.25 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 17.90 1q80 h ALA 36 CO -0.00 0.16 -1.26 0.87 0.00 0.00 0.00 179.25 179.01 1q80 h LYS 37 N 0.84 0.57 0.00 0.00 1.79 -1.13 -3.40 116.57 115.24 1q80 h LYS 37 Ca 0.37 -0.80 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1q80 h LYS 37 Cb 0.25 0.27 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1q80 h LYS 37 CO -0.21 1.36 -1.31 0.39 -1.08 0.00 0.00 179.45 178.61 1q80 n GLU 38 N -3.75 0.33 -3.01 3.15 1.02 -0.58 -5.03 120.64 112.77 1q80 n GLU 38 Ca -0.13 -0.06 -0.16 0.00 -0.02 0.00 0.00 57.16 56.79 1q80 n GLU 38 Cb 1.00 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.85 1q80 n GLU 38 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1q80 n SER 39 N -1.95 2.21 -4.85 1.62 3.41 -0.69 -5.07 113.62 108.29 1q80 n SER 39 Ca 0.01 -2.13 -0.32 0.00 -0.26 0.00 0.00 58.87 56.17 1q80 n SER 39 Cb 0.45 0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.39 1q80 n SER 39 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1q80 s GLU 40 N -3.21 3.94 0.00 4.33 -6.30 -1.26 -4.89 118.70 111.30 1q80 s GLU 40 Ca 0.13 0.70 0.00 0.00 -2.50 0.00 0.00 54.97 53.30 1q80 s GLU 40 Cb -0.01 -2.33 0.00 0.00 0.00 0.00 0.00 34.13 31.79 1q80 s GLU 40 CO 0.08 -0.02 0.00 -1.33 0.02 0.00 0.00 175.26 174.01 1q80 n MET 41 N -0.98 0.00 -3.03 4.30 2.81 -1.26 -4.94 117.12 114.02 1q80 n MET 41 Ca 0.04 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.55 1q80 n MET 41 Cb 0.54 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.99 1q80 n MET 41 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1q80 s LYS 42 N -1.26 4.42 0.00 0.03 3.01 -1.25 -4.95 119.74 119.74 1q80 s LYS 42 Ca 0.00 1.03 0.00 0.00 -1.01 0.00 0.00 55.97 55.99 1q80 s LYS 42 Cb 0.00 -3.07 0.00 0.00 -1.01 0.00 0.00 37.83 33.75 1q80 s LYS 42 CO 0.00 0.48 0.00 0.00 0.51 0.00 0.00 175.35 176.34 1q80 n ALA 43 N 1.16 0.00 -0.08 5.17 0.00 -1.26 -0.89 120.51 124.61 1q80 n ALA 43 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.42 1q80 n ALA 43 Cb 0.50 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.29 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 0.71 -0.08 0.00 4.39 -2.02 -3.22 114.58 114.34 1q80 h GLU 44 Ca 0.00 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.67 1q80 h GLU 44 Cb 0.00 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1q80 h GLU 44 CO 0.00 0.49 0.07 0.45 -1.16 0.00 0.00 179.01 178.86 1q80 h HIS 45 N 0.72 0.00 -0.19 4.33 3.86 -1.40 -3.13 115.15 119.34 1q80 h HIS 45 Ca 0.19 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1q80 h HIS 45 Cb -0.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1q80 h HIS 45 CO 0.00 0.00 0.09 0.00 0.86 0.00 0.00 177.93 178.88 1q80 h ALA 46 N 1.93 0.24 -0.62 2.45 0.00 -1.68 -1.07 119.26 120.52 1q80 h ALA 46 Ca 0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1q80 h ALA 46 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1q80 h ALA 46 CO -0.00 -0.19 0.04 1.57 0.00 0.00 0.00 179.25 180.67 1q80 h LYS 47 N 0.17 1.08 -0.44 0.00 5.09 -1.77 -2.46 116.57 118.22 1q80 h LYS 47 Ca 0.06 -0.32 0.04 0.00 0.09 0.00 0.00 60.65 60.53 1q80 h LYS 47 Cb 0.13 -0.11 -0.04 0.00 0.10 0.00 0.00 32.23 32.31 1q80 h LYS 47 CO -0.01 1.03 0.20 0.28 -2.09 0.00 0.00 179.45 178.86 1q80 h VAL 48 N 0.98 0.93 0.34 0.07 2.07 -1.56 0.07 116.25 119.15 1q80 h VAL 48 Ca 0.18 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1q80 h VAL 48 Cb 0.52 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1q80 h VAL 48 CO 0.02 0.07 -0.44 0.25 0.02 0.00 0.00 177.57 177.50 1q80 h LEU 49 N 0.40 -1.22 0.13 2.57 5.85 -1.14 -0.78 115.31 121.12 1q80 h LEU 49 Ca 0.20 0.11 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1q80 h LEU 49 Cb 0.14 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1q80 h LEU 49 CO -0.16 -0.56 -0.17 -0.03 -0.34 0.00 0.00 178.44 177.17 1q80 h MET 50 N -0.82 -0.34 -0.34 1.25 4.05 -1.22 -0.74 114.93 116.78 1q80 h MET 50 Ca -0.02 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.44 1q80 h MET 50 Cb 0.75 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.60 1q80 h MET 50 CO -0.12 -0.23 0.18 -0.44 0.23 0.00 0.00 176.91 176.53 1q80 h ASP 51 N -0.35 0.27 0.11 1.39 3.32 -1.02 -1.52 116.42 118.62 1q80 h ASP 51 Ca 0.02 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1q80 h ASP 51 Cb 0.35 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1q80 h ASP 51 CO -0.07 0.20 -0.05 0.28 -1.72 0.00 0.00 179.24 177.87 1q80 h SER 52 N 0.37 -0.13 -0.36 6.45 0.02 -1.09 -1.46 113.55 117.34 1q80 h SER 52 Ca 0.14 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 1q80 h SER 52 Cb 0.03 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1q80 h SER 52 CO -0.08 0.12 -0.11 0.17 -1.14 0.00 0.00 176.83 175.78 1q80 h LEU 53 N -0.37 0.80 -0.71 5.07 8.10 -1.14 -2.79 115.31 124.25 1q80 h LEU 53 Ca -0.02 -0.24 -0.09 0.00 0.11 0.00 0.00 57.88 57.64 1q80 h LEU 53 Cb 0.31 -0.22 -0.02 0.00 -0.44 0.00 0.00 40.66 40.29 1q80 h LEU 53 CO 0.03 0.93 0.00 0.71 -4.11 0.00 0.00 178.44 176.00 1q80 h THR 54 N 0.73 1.26 -0.77 0.15 1.35 -1.33 -2.99 112.91 111.31 1q80 h THR 54 Ca 0.12 -1.11 0.17 0.00 -0.55 0.00 0.00 66.41 65.04 1q80 h THR 54 Cb 0.61 0.82 -0.05 0.00 -1.73 0.00 0.00 68.15 67.80 1q80 h THR 54 CO 0.04 0.40 0.52 1.23 -0.25 0.00 0.00 175.52 177.46 1q80 h GLY 55 N 1.00 0.57 0.49 5.82 0.00 -0.98 -1.54 103.07 108.42 1q80 h GLY 55 Ca 0.17 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.41 1q80 h GLY 55 CO 0.03 0.03 -0.09 -2.08 0.00 0.00 0.00 176.54 174.43 1q80 h VAL 56 N 0.31 0.71 0.22 4.60 2.07 -1.50 -1.03 116.25 121.63 1q80 h VAL 56 Ca 0.38 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.89 1q80 h VAL 56 Cb 1.03 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1q80 h VAL 56 CO -0.10 0.00 -0.11 -0.25 0.02 0.00 0.00 177.57 177.13 1q80 h TRP 57 N -0.05 -0.28 -0.68 1.57 2.91 -1.59 -1.25 115.95 116.58 1q80 h TRP 57 Ca 0.11 -0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.28 1q80 h TRP 57 Cb 0.22 0.09 -0.11 0.00 -0.51 0.00 0.00 29.16 28.85 1q80 h TRP 57 CO -0.26 -0.17 0.04 -0.44 -1.03 0.00 0.00 178.44 176.58 1q80 h ASP 58 N -1.06 -0.24 0.05 2.65 3.32 -1.32 -1.54 116.42 118.29 1q80 h ASP 58 Ca -0.03 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1q80 h ASP 58 Cb 0.23 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1q80 h ASP 58 CO 0.05 -0.12 -0.95 0.59 -1.72 0.00 0.00 179.24 177.09 1q80 n ASN 59 N -5.28 0.94 0.02 6.45 3.02 -0.39 -4.67 115.26 115.35 1q80 n ASN 59 Ca 0.11 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1q80 n ASN 59 Cb 0.41 0.92 0.00 0.00 -0.61 0.00 0.00 39.78 40.51 1q80 n ASN 59 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1q80 n PHE 60 N -1.51 -0.22 0.21 3.10 3.72 -1.03 -4.91 117.46 116.82 1q80 n PHE 60 Ca 0.04 0.04 0.05 0.00 -0.05 0.00 0.00 57.45 57.53 1q80 n PHE 60 Cb 0.33 0.24 0.51 0.00 -0.94 0.00 0.00 39.48 39.62 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 0.05 -1.98 4.37 3.38 -1.09 -3.22 115.31 116.82 1q80 h LEU 61 Ca 0.00 -0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.17 1q80 h LEU 61 Cb 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1q80 h LEU 61 CO 0.00 0.18 0.55 0.74 0.09 0.00 0.00 178.44 179.99 1q80 h THR 62 N 0.06 0.54 0.00 0.22 2.02 -1.54 -2.79 112.91 111.42 1q80 h THR 62 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1q80 h THR 62 Cb 0.24 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1q80 h THR 62 CO 0.02 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.91 1q80 n ALA 63 N -2.60 1.48 0.09 6.16 0.00 -1.22 -1.35 120.51 123.07 1q80 n ALA 63 Ca 0.14 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 1q80 n ALA 63 Cb 0.81 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 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 0.39 0.00 0.00 2.07 -1.77 -3.41 116.25 113.54 1q80 h VAL 64 Ca 0.00 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1q80 h VAL 64 Cb 0.18 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1q80 h VAL 64 CO 0.00 0.11 -0.01 0.00 0.02 0.00 0.00 177.57 177.69 1q80 n ALA 65 N -2.67 1.94 -1.23 1.67 0.00 -1.25 -5.04 120.51 113.93 1q80 n ALA 65 Ca -0.06 -1.17 -0.08 0.00 0.00 0.00 0.00 53.44 52.13 1q80 n ALA 65 Cb 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.57 0.77 0.00 0.00 0.00 -0.46 -3.79 105.19 101.15 1q80 n GLY 66 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.30 2.81 3.75 -0.02 0.00 -1.26 -5.05 105.19 105.72 1q80 n GLY 67 Ca -0.08 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1q80 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q80 s LYS 68 N 0.00 4.31 0.46 1.61 2.36 -1.25 -4.78 119.74 122.46 1q80 s LYS 68 Ca 0.00 2.24 -0.20 0.00 -2.55 0.00 0.00 55.97 55.46 1q80 s LYS 68 Cb 0.00 -3.11 -0.13 0.00 -1.05 0.00 0.00 37.83 33.54 1q80 s LYS 68 CO 0.00 -0.32 0.28 0.41 1.55 0.00 0.00 175.35 177.28 1q80 n GLY 69 N 1.71 -2.18 3.54 5.54 0.00 -1.26 -4.68 105.19 107.86 1q80 n GLY 69 Ca 0.04 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.69 5.28 0.91 -0.61 -1.09 0.46 -4.72 121.20 119.75 1q80 s ILE 70 Ca 0.62 -0.15 -0.12 0.00 -2.23 0.00 0.00 60.65 58.77 1q80 s ILE 70 Cb -0.56 -3.70 0.14 0.00 -1.58 0.00 0.00 42.46 36.76 1q80 s ILE 70 CO 0.60 0.02 1.10 -0.62 -1.23 0.00 0.00 174.94 174.81 1q80 s ASP 71 N 1.73 3.39 0.15 3.58 -1.08 -1.26 -1.24 116.67 121.93 1q80 s ASP 71 Ca 0.06 1.33 -0.17 0.00 -0.52 0.00 0.00 52.55 53.25 1q80 s ASP 71 Cb -0.17 -2.00 0.04 0.00 -1.46 0.00 0.00 42.92 39.33 1q80 s ASP 71 CO 0.11 -2.67 1.76 -0.08 0.52 0.00 0.00 175.17 174.80 1q80 h GLU 72 N -1.57 0.27 -0.34 4.34 4.81 -1.99 -1.41 114.58 118.69 1q80 h GLU 72 Ca -0.51 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1q80 h GLU 72 Cb 1.30 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 1q80 h GLU 72 CO 0.57 0.18 0.22 1.79 -0.73 0.00 0.00 179.01 181.03 1q80 h THR 73 N 0.27 1.08 -0.18 0.32 1.35 -1.98 -1.58 112.91 112.18 1q80 h THR 73 Ca 0.15 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1q80 h THR 73 Cb 0.11 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 1q80 h THR 73 CO -0.14 0.08 0.12 0.71 -0.25 0.00 0.00 175.52 176.04 1q80 h THR 74 N 0.45 1.05 0.18 6.82 1.35 -1.89 0.22 112.91 121.09 1q80 h THR 74 Ca 0.13 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 65.87 1q80 h THR 74 Cb -0.04 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1q80 h THR 74 CO -0.03 0.05 -0.09 0.15 -0.25 0.00 0.00 175.52 175.35 1q80 h PHE 75 N 0.25 -0.22 0.31 4.73 3.57 -1.22 -1.19 116.94 123.16 1q80 h PHE 75 Ca 0.07 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1q80 h PHE 75 Cb -0.02 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1q80 h PHE 75 CO -0.06 -0.09 -0.15 0.82 -2.23 0.00 0.00 178.31 176.59 1q80 h ILE 76 N -0.30 0.71 0.12 1.41 5.03 -1.27 -1.57 117.51 121.64 1q80 h ILE 76 Ca -0.02 -0.14 -0.01 0.00 -0.12 0.00 0.00 64.86 64.57 1q80 h ILE 76 Cb 0.23 0.79 0.00 0.00 -3.03 0.00 0.00 36.82 34.81 1q80 h ILE 76 CO 0.04 0.03 -0.06 -1.13 -0.68 0.00 0.00 178.15 176.35 1q80 h ASN 77 N -0.49 -0.14 0.27 1.72 -1.24 -0.62 -1.01 115.58 114.08 1q80 h ASN 77 Ca -0.04 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 1q80 h ASN 77 Cb 0.37 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1q80 h ASN 77 CO 0.07 -0.09 -0.14 0.77 -1.29 0.00 0.00 177.43 176.75 1q80 h SER 78 N -0.17 -0.33 -0.51 1.15 4.64 -1.27 -3.16 113.55 113.90 1q80 h SER 78 Ca -0.02 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1q80 h SER 78 Cb 0.13 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1q80 h SER 78 CO 0.03 -0.23 0.08 0.24 -0.87 0.00 0.00 176.83 176.08 1q80 h MET 79 N -0.37 0.89 -0.25 4.77 2.86 -1.32 -2.43 114.93 119.08 1q80 h MET 79 Ca -0.03 -0.22 0.06 0.00 -2.06 0.00 0.00 59.70 57.45 1q80 h MET 79 Cb 0.29 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 1q80 h MET 79 CO 0.05 0.84 -0.12 -0.22 1.06 0.00 0.00 176.91 178.52 1q80 h LYS 80 N 0.85 -0.09 0.03 1.72 3.11 -1.17 -1.54 116.57 119.48 1q80 h LYS 80 Ca 0.17 0.01 -0.13 0.00 -2.81 0.00 0.00 60.65 57.89 1q80 h LYS 80 Cb 0.38 0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.65 1q80 h LYS 80 CO 0.01 -0.06 -0.54 0.93 -2.81 0.00 0.00 179.45 176.98 1q80 h GLU 81 N -0.09 0.32 -0.97 1.90 3.07 -1.62 -3.37 114.58 113.82 1q80 h GLU 81 Ca 0.13 -0.38 0.07 0.00 -0.50 0.00 0.00 59.36 58.69 1q80 h GLU 81 Cb 0.29 0.12 -0.07 0.00 -0.84 0.00 0.00 28.75 28.25 1q80 h GLU 81 CO -0.31 1.09 0.63 0.52 -1.40 0.00 0.00 179.01 179.53 1q80 h MET 82 N -0.29 1.07 0.00 2.33 2.86 -1.38 -2.64 114.93 116.89 1q80 h MET 82 Ca -0.08 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1q80 h MET 82 Cb 1.30 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 1q80 h MET 82 CO 0.10 0.71 -0.01 -0.39 1.06 0.00 0.00 176.91 178.38 1q80 h VAL 83 N 1.10 0.03 0.00 -2.22 -1.51 -1.45 -3.16 116.25 109.05 1q80 h VAL 83 Ca 0.43 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1q80 h VAL 83 Cb 0.23 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 1q80 h VAL 83 CO -0.18 0.01 -0.01 0.11 -1.23 0.00 0.00 177.57 176.28 1q80 h LYS 84 N 0.00 0.00 -6.59 5.19 1.57 -1.62 -3.48 116.57 111.65 1q80 h LYS 84 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1q80 h LYS 84 Cb 0.51 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.84 1q80 h LYS 84 CO 0.00 0.00 0.68 1.21 -0.57 0.00 0.00 179.45 180.77 1q80 s ASN 85 N -5.18 6.88 0.66 0.86 2.47 -1.20 -4.95 114.94 114.49 1q80 s ASN 85 Ca 0.09 2.32 0.30 0.00 0.42 0.00 0.00 52.86 55.99 1q80 s ASN 85 Cb 0.10 -2.59 1.63 0.00 -1.45 0.00 0.00 41.25 38.93 1q80 s ASN 85 CO 0.63 -0.59 1.92 1.55 -3.72 0.00 0.00 177.10 176.89 1q80 h PRO 86 N 6.30 0.00 0.00 0.43 0.13 -1.92 -3.26 132.00 133.68 1q80 h PRO 86 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1q80 h PRO 86 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1q80 h PRO 86 CO 0.83 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.99 1q80 n GLU 87 N -2.87 -0.07 0.00 0.86 -0.58 -1.26 -4.89 120.64 111.83 1q80 n GLU 87 Ca -0.02 -0.30 0.15 0.00 -0.42 0.00 0.00 57.16 56.57 1q80 n GLU 87 Cb 0.37 -0.66 0.75 0.00 -0.57 0.00 0.00 31.44 31.33 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 -0.03 2.53 -0.29 0.62 0.00 -1.23 -4.49 120.51 117.62 1q80 n ALA 88 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.34 1q80 n ALA 88 Cb 0.22 -1.47 0.16 0.00 0.00 0.00 0.00 19.45 18.35 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 0.06 0.04 0.00 0.00 1.57 -1.80 -2.67 116.57 113.77 1q80 h LYS 89 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1q80 h LYS 89 Cb 0.28 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 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 0.22 0.86 0.02 -1.98 0.16 113.55 112.88 1q80 h SER 90 Ca 0.44 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.29 1q80 h SER 90 Cb 0.75 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1q80 h SER 90 CO -0.79 0.03 -0.36 -0.37 -1.14 0.00 0.00 176.83 174.20 1q80 h VAL 91 N 0.00 1.28 0.01 2.27 -1.51 -1.83 -1.53 116.25 114.95 1q80 h VAL 91 Ca -0.00 -1.37 -0.30 0.00 -1.23 0.00 0.00 66.70 63.80 1q80 h VAL 91 Cb 0.10 1.61 -0.05 0.00 -2.13 0.00 0.00 31.29 30.82 1q80 h VAL 91 CO 0.00 0.41 -1.78 0.55 -1.23 0.00 0.00 177.57 175.52 1q80 n VAL 92 N -4.08 1.60 -0.09 7.19 3.14 -0.58 -4.37 118.33 121.15 1q80 n VAL 92 Ca -0.01 -0.79 -0.14 0.00 -2.96 0.00 0.00 64.34 60.44 1q80 n VAL 92 Cb 0.43 -1.03 -0.04 0.00 -1.06 0.00 0.00 33.84 32.14 1q80 n VAL 92 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1q80 h GLU 93 N 0.00 0.72 -1.00 1.45 5.08 -0.73 -3.37 114.58 116.75 1q80 h GLU 93 Ca -0.32 -0.41 0.34 0.00 -1.00 0.00 0.00 59.36 57.98 1q80 h GLU 93 Cb 2.03 0.03 -0.18 0.00 0.50 0.00 0.00 28.75 31.13 1q80 h GLU 93 CO 0.07 1.03 0.25 0.41 -1.00 0.00 0.00 179.01 179.77 1q80 n GLY 94 N 0.23 -1.09 0.32 -3.84 0.00 -0.58 -1.68 105.19 98.55 1q80 n GLY 94 Ca -0.04 0.90 0.18 0.00 0.00 0.00 0.00 46.02 47.06 1q80 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1q80 h PRO 95 N 0.00 0.00 0.37 1.61 0.11 -1.82 -3.31 132.00 128.96 1q80 h PRO 95 Ca 0.71 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.80 1q80 h PRO 95 Cb 1.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.79 1q80 h PRO 95 CO -0.86 0.00 -0.18 -0.07 -0.21 0.00 0.00 178.00 176.68 1q80 h LEU 96 N 0.00 -0.42 -1.32 2.35 -0.00 -1.60 0.18 115.31 114.51 1q80 h LEU 96 Ca 0.03 -0.08 0.16 0.00 -0.00 0.00 0.00 57.88 57.99 1q80 h LEU 96 Cb 0.20 0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 40.89 1q80 h LEU 96 CO -0.00 -0.18 0.58 -0.65 -0.00 0.00 0.00 178.44 178.19 1q80 h PRO 97 N -0.65 0.62 0.09 1.13 0.11 -1.79 -0.55 132.00 130.96 1q80 h PRO 97 Ca -0.05 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1q80 h PRO 97 Cb 0.47 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1q80 h PRO 97 CO 0.08 0.41 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.17 1q80 h LEU 98 N 0.64 -0.11 -1.16 2.35 -0.00 -1.67 -2.48 115.31 112.87 1q80 h LEU 98 Ca 0.46 -0.41 0.05 0.00 -0.00 0.00 0.00 57.88 57.98 1q80 h LEU 98 Cb 0.81 0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 41.44 1q80 h LEU 98 CO -0.21 0.39 0.58 -0.26 -0.00 0.00 0.00 178.44 178.94 1q80 h PHE 99 N -0.63 1.04 0.41 1.13 0.04 -0.80 -2.41 116.94 115.71 1q80 h PHE 99 Ca -0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1q80 h PHE 99 Cb 0.51 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1q80 h PHE 99 CO 0.08 0.56 -0.33 0.35 -0.60 0.00 0.00 178.31 178.38 1q80 h PHE 100 N 1.04 -0.88 -0.37 -0.55 3.57 -1.13 -1.58 116.94 117.04 1q80 h PHE 100 Ca 0.37 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.88 1q80 h PHE 100 Cb 0.14 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1q80 h PHE 100 CO -0.00 -0.48 0.24 0.00 -2.23 0.00 0.00 178.31 175.84 1q80 h ARG 101 N -0.74 0.47 -0.17 1.11 2.47 -1.35 -1.53 114.38 114.64 1q80 h ARG 101 Ca -0.04 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1q80 h ARG 101 Cb 0.64 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1q80 h ARG 101 CO -0.01 0.31 0.05 0.00 0.56 0.00 0.00 179.97 180.88 1q80 h ALA 102 N 1.77 0.22 0.00 0.04 0.00 -1.21 -3.23 119.26 116.85 1q80 h ALA 102 Ca 0.14 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1q80 h ALA 102 Cb -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1q80 h ALA 102 CO -0.03 -0.15 -0.54 0.28 0.00 0.00 0.00 179.25 178.81 1q80 h VAL 103 N 0.09 1.27 -0.13 0.00 2.07 -1.13 -3.40 116.25 115.02 1q80 h VAL 103 Ca 0.05 -1.94 -0.56 0.00 0.82 0.00 0.00 66.70 65.07 1q80 h VAL 103 Cb 0.24 2.08 0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1q80 h VAL 103 CO -0.00 0.53 1.91 -0.67 0.02 0.00 0.00 177.57 179.36 1q80 n ASP 104 N -3.71 2.59 0.14 0.57 2.03 -0.59 -4.83 116.55 112.75 1q80 n ASP 104 Ca -0.01 -2.68 0.19 0.00 0.52 0.00 0.00 54.79 52.82 1q80 n ASP 104 Cb 0.58 -1.26 0.78 0.00 -0.72 0.00 0.00 41.12 40.50 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 4.97 0.39 -0.07 5.18 1.03 -1.83 -1.75 112.91 120.84 1q80 h THR 105 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.76 1q80 h THR 105 Cb 0.74 0.71 0.00 0.00 -1.07 0.00 0.00 68.15 68.54 1q80 h THR 105 CO 1.76 0.00 0.00 -0.46 -0.01 0.00 0.00 175.52 176.81 1q80 n ASN 106 N -3.71 2.72 -2.61 0.00 6.94 -1.26 -3.94 115.26 113.40 1q80 n ASN 106 Ca 0.05 -1.84 -0.21 0.00 -0.02 0.00 0.00 54.58 52.56 1q80 n ASN 106 Cb 0.51 -0.03 0.01 0.00 -2.36 0.00 0.00 39.78 37.91 1q80 n ASN 106 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1q80 n GLU 107 N 1.13 -2.78 0.09 -3.83 -0.58 -0.66 -4.96 120.64 109.05 1q80 n GLU 107 Ca 0.12 0.98 -0.14 0.00 -0.42 0.00 0.00 57.16 57.70 1q80 n GLU 107 Cb 0.50 -5.71 -0.09 0.00 -0.57 0.00 0.00 31.44 25.57 1q80 n GLU 107 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1q80 h ASP 108 N -0.47 0.41 0.00 1.62 1.82 -1.96 -3.48 116.42 114.36 1q80 h ASP 108 Ca -0.51 -0.39 0.00 0.00 -0.39 0.00 0.00 57.03 55.74 1q80 h ASP 108 Cb 1.37 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.25 1q80 h ASP 108 CO 0.58 1.25 0.00 -3.20 -1.61 0.00 0.00 179.24 176.26 1q80 n ASN 109 N -3.60 -0.43 -3.74 2.28 5.15 -1.26 -5.11 115.26 108.55 1q80 n ASN 109 Ca -0.07 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.79 1q80 n ASN 109 Cb 0.94 -0.07 -0.13 0.00 -0.53 0.00 0.00 39.78 39.98 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 -2.14 -0.24 -0.24 1.20 0.01 -1.26 -3.93 114.94 108.34 1q80 s ASN 110 Ca 0.00 0.48 -0.10 0.00 -0.71 0.00 0.00 52.86 52.53 1q80 s ASN 110 Cb 0.00 0.37 -0.05 0.00 0.41 0.00 0.00 41.25 41.98 1q80 s ASN 110 CO 0.00 -0.16 0.16 -0.63 -1.51 0.00 0.00 177.10 174.96 1q80 s ILE 111 N 1.16 5.36 0.66 0.60 1.01 -0.60 -4.84 121.20 124.55 1q80 s ILE 111 Ca -0.09 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 1q80 s ILE 111 Cb -0.10 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 38.93 1q80 s ILE 111 CO -0.07 0.35 0.95 -0.94 0.00 0.00 0.00 174.94 175.22 1q80 s SER 112 N 1.01 4.89 0.23 3.58 1.04 -1.26 -0.90 113.70 122.29 1q80 s SER 112 Ca 0.08 0.26 -0.06 0.00 0.48 0.00 0.00 55.95 56.71 1q80 s SER 112 Cb -0.13 -0.96 0.40 0.00 0.10 0.00 0.00 66.02 65.43 1q80 s SER 112 CO 0.04 -1.50 1.75 0.03 0.98 0.00 0.00 173.24 174.54 1q80 h ARG 113 N -0.41 0.47 -0.12 4.02 3.08 -1.92 -1.54 114.38 117.97 1q80 h ARG 113 Ca -0.43 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.43 1q80 h ARG 113 Cb 1.31 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1q80 h ARG 113 CO 0.56 0.31 -0.60 -0.44 -1.07 0.00 0.00 179.97 178.74 1q80 h ASP 114 N 0.49 0.45 -0.22 7.04 5.19 -1.95 -1.04 116.42 126.38 1q80 h ASP 114 Ca 0.38 -0.25 -0.04 0.00 -0.62 0.00 0.00 57.03 56.49 1q80 h ASP 114 Cb 0.52 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 1q80 h ASP 114 CO -0.35 0.94 -0.04 -0.33 -3.12 0.00 0.00 179.24 176.34 1q80 h GLU 115 N 0.29 0.41 -0.81 3.56 3.07 -1.82 0.13 114.58 119.43 1q80 h GLU 115 Ca -0.00 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 58.68 1q80 h GLU 115 Cb 1.13 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.97 1q80 h GLU 115 CO 0.10 0.64 0.40 -0.92 -1.40 0.00 0.00 179.01 177.84 1q80 h TYR 116 N 0.15 1.14 -0.53 4.33 3.20 -1.36 -1.55 116.97 122.35 1q80 h TYR 116 Ca 0.06 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1q80 h TYR 116 Cb 0.48 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1q80 h TYR 116 CO 0.05 0.82 0.29 0.78 -1.64 0.00 0.00 178.16 178.45 1q80 h GLY 117 N 1.17 0.80 0.95 1.82 0.00 -0.96 -0.29 103.07 106.57 1q80 h GLY 117 Ca 0.28 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1q80 h GLY 117 CO -0.04 0.35 0.17 -2.22 0.00 0.00 0.00 176.54 174.81 1q80 h ILE 118 N 0.72 1.15 -0.21 2.60 5.03 -0.61 -1.43 117.51 124.75 1q80 h ILE 118 Ca 0.19 -0.40 0.03 0.00 -0.12 0.00 0.00 64.86 64.56 1q80 h ILE 118 Cb 0.06 0.80 -0.03 0.00 -3.03 0.00 0.00 36.82 34.62 1q80 h ILE 118 CO -0.03 0.15 0.00 0.15 -0.68 0.00 0.00 178.15 177.74 1q80 h PHE 119 N 0.41 -0.00 -0.46 1.37 3.57 -1.18 -1.65 116.94 118.99 1q80 h PHE 119 Ca 0.12 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.72 1q80 h PHE 119 Cb 0.08 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.78 1q80 h PHE 119 CO -0.02 -0.03 -0.00 0.74 -2.23 0.00 0.00 178.31 176.77 1q80 h PHE 120 N 0.07 -0.03 -0.64 0.41 -1.00 -0.88 -0.65 116.94 114.21 1q80 h PHE 120 Ca 0.10 0.03 0.08 0.00 2.81 0.00 0.00 57.97 60.99 1q80 h PHE 120 Cb 0.12 0.09 -0.06 0.00 3.61 0.00 0.00 35.95 39.70 1q80 h PHE 120 CO -0.18 -0.10 0.31 0.78 -1.61 0.00 0.00 178.31 177.51 1q80 h GLY 121 N 0.11 0.94 0.94 -1.45 0.00 -0.98 -0.51 103.07 102.11 1q80 h GLY 121 Ca 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1q80 h GLY 121 CO -0.39 0.07 0.15 -0.33 0.00 0.00 0.00 176.54 176.04 1q80 h MET 122 N 0.56 0.58 0.00 4.80 2.86 -0.51 -2.89 114.93 120.32 1q80 h MET 122 Ca 0.31 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1q80 h MET 122 Cb 0.29 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1q80 h MET 122 CO -0.24 0.56 -0.03 -0.07 1.06 0.00 0.00 176.91 178.19 1q80 h LEU 123 N 0.47 0.00 0.00 1.22 -0.00 -0.97 -3.47 115.31 112.57 1q80 h LEU 123 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1q80 h LEU 123 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 1q80 h LEU 123 CO -0.01 0.03 0.00 0.61 -0.00 0.00 0.00 178.44 179.07 1q80 n GLY 124 N -1.20 0.93 3.50 0.83 0.00 -0.94 -4.82 105.19 103.48 1q80 n GLY 124 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 2.38 0.11 0.99 2.01 -0.24 -5.01 118.68 118.92 1q80 s LEU 125 Ca 0.00 -1.37 -0.24 0.00 0.01 0.00 0.00 54.13 52.52 1q80 s LEU 125 Cb 0.00 -0.53 -0.07 0.00 0.01 0.00 0.00 46.19 45.60 1q80 s LEU 125 CO 0.00 -0.56 0.74 -0.62 1.01 0.00 0.00 176.35 176.92 1q80 s ASP 126 N -3.55 7.28 0.32 2.29 2.15 -1.26 -3.74 116.67 120.17 1q80 s ASP 126 Ca 0.36 1.52 0.04 0.00 0.43 0.00 0.00 52.55 54.90 1q80 s ASP 126 Cb 0.09 -2.47 0.65 0.00 -0.30 0.00 0.00 42.92 40.89 1q80 s ASP 126 CO 0.16 0.16 1.90 0.50 -0.17 0.00 0.00 175.17 177.72 1q80 h LYS 127 N 4.78 0.86 -0.07 4.34 3.11 -1.93 -1.49 116.57 126.17 1q80 h LYS 127 Ca -0.46 -0.05 0.02 0.00 -2.81 0.00 0.00 60.65 57.35 1q80 h LYS 127 Cb 1.21 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 32.24 1q80 h LYS 127 CO 0.67 0.57 0.11 1.79 -2.81 0.00 0.00 179.45 179.78 1q80 h THR 128 N 0.88 0.35 0.00 1.00 1.35 -1.94 -2.48 112.91 112.08 1q80 h THR 128 Ca 0.40 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 66.13 1q80 h THR 128 Cb 0.38 0.90 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 1q80 h THR 128 CO -0.17 0.00 -0.64 -0.03 -0.25 0.00 0.00 175.52 174.44 1q80 h MET 129 N 0.00 0.00 -0.62 4.72 1.85 -1.67 -3.38 114.93 115.83 1q80 h MET 129 Ca 0.04 0.00 0.11 0.00 -0.61 0.00 0.00 59.70 59.23 1q80 h MET 129 Cb 0.26 0.00 -0.08 0.00 0.43 0.00 0.00 31.60 32.21 1q80 h MET 129 CO -0.00 0.64 0.20 0.00 -0.40 0.00 0.00 176.91 177.34 1q80 h ALA 130 N 1.36 0.78 -0.88 0.39 0.00 -1.54 -3.16 119.26 116.22 1q80 h ALA 130 Ca -0.01 0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.23 1q80 h ALA 130 Cb 1.22 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.99 1q80 h ALA 130 CO 0.08 -0.24 0.35 -1.35 0.00 0.00 0.00 179.25 178.09 1q80 h PRO 131 N 0.35 0.35 -0.51 0.00 0.11 -1.78 -0.68 132.00 129.83 1q80 h PRO 131 Ca 0.32 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.48 1q80 h PRO 131 Cb 0.44 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.41 1q80 h PRO 131 CO -0.35 0.23 0.18 0.00 -0.21 0.00 0.00 178.00 177.84 1q80 h ALA 132 N 1.71 0.63 0.10 -0.75 0.00 -1.84 0.67 119.26 119.79 1q80 h ALA 132 Ca 0.55 0.07 -0.26 0.00 0.00 0.00 0.00 54.91 55.27 1q80 h ALA 132 Cb 1.04 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1q80 h ALA 132 CO -0.55 -0.22 -1.19 1.03 0.00 0.00 0.00 179.25 178.32 1q80 h SER 133 N 0.35 0.34 0.25 0.00 0.87 -1.64 -3.33 113.55 110.39 1q80 h SER 133 Ca 0.25 -0.37 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1q80 h SER 133 Cb 0.28 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1q80 h SER 133 CO -0.26 1.29 -0.12 0.15 -0.53 0.00 0.00 176.83 177.36 1q80 h PHE 134 N 0.06 -0.31 -0.71 2.24 3.04 -0.92 -3.23 116.94 117.11 1q80 h PHE 134 Ca -0.11 -0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.01 1q80 h PHE 134 Cb 1.93 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 40.51 1q80 h PHE 134 CO 0.05 -0.04 0.49 -0.44 -2.02 0.00 0.00 178.31 176.36 1q80 h ASP 135 N -0.56 0.18 -0.19 0.41 3.32 -1.04 -0.60 116.42 117.94 1q80 h ASP 135 Ca -0.03 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1q80 h ASP 135 Cb 0.41 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1q80 h ASP 135 CO 0.06 0.09 -0.04 0.00 -1.72 0.00 0.00 179.24 177.62 1q80 h ALA 136 N 1.66 1.35 0.05 3.45 0.00 -1.66 -3.29 119.26 120.83 1q80 h ALA 136 Ca 0.35 -0.22 -0.32 0.00 0.00 0.00 0.00 54.91 54.72 1q80 h ALA 136 Cb 1.09 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1q80 h ALA 136 CO -0.06 0.44 -1.81 -0.89 0.00 0.00 0.00 179.25 176.93 1q80 n ILE 137 N -4.26 1.68 -1.35 0.00 5.41 -0.61 -4.19 119.36 116.06 1q80 n ILE 137 Ca 0.01 -0.74 -0.37 0.00 1.00 0.00 0.00 62.75 62.65 1q80 n ILE 137 Cb 0.26 -1.32 -0.07 0.00 -0.71 0.00 0.00 39.64 37.80 1q80 n ILE 137 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1q80 n ASP 138 N -3.22 2.34 -0.20 4.38 2.03 -0.33 -4.82 116.55 116.72 1q80 n ASP 138 Ca -0.23 -2.64 -0.04 0.00 0.52 0.00 0.00 54.79 52.40 1q80 n ASP 138 Cb 1.05 -1.24 0.06 0.00 -0.72 0.00 0.00 41.12 40.26 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 5.22 1.05 -0.00 5.18 2.02 -1.85 -2.97 112.91 121.56 1q80 h THR 139 Ca 0.30 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1q80 h THR 139 Cb 0.78 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1q80 h THR 139 CO 1.69 0.13 -0.09 -0.46 0.37 0.00 0.00 175.52 177.15 1q80 n ASN 140 N -4.76 0.16 -1.02 4.18 6.94 -1.26 -4.99 115.26 114.51 1q80 n ASN 140 Ca 0.05 0.06 -0.12 0.00 -0.02 0.00 0.00 54.58 54.55 1q80 n ASN 140 Cb 0.09 -0.27 -0.05 0.00 -2.36 0.00 0.00 39.78 37.20 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 -1.36 -4.43 0.17 0.53 3.02 -1.12 -4.96 115.26 107.12 1q80 n ASN 141 Ca 0.10 0.26 0.12 0.00 -0.03 0.00 0.00 54.58 55.03 1q80 n ASN 141 Cb 0.31 -3.11 0.16 0.00 -0.61 0.00 0.00 39.78 36.53 1q80 n ASN 141 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1q80 h ASP 142 N 0.00 0.00 0.00 6.41 3.32 -1.94 -3.48 116.42 120.73 1q80 h ASP 142 Ca -0.26 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1q80 h ASP 142 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1q80 h ASP 142 CO 0.37 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.51 1q80 n GLY 143 N 1.16 0.91 3.25 2.75 0.00 -1.26 -5.07 105.19 106.93 1q80 n GLY 143 Ca 0.03 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 2.41 -0.30 0.99 2.01 -1.26 -2.57 118.68 119.95 1q80 s LEU 144 Ca 0.00 -0.81 -0.02 0.00 0.01 0.00 0.00 54.13 53.31 1q80 s LEU 144 Cb 0.00 -0.57 0.05 0.00 0.01 0.00 0.00 46.19 45.68 1q80 s LEU 144 CO 0.00 -0.14 0.00 -0.76 1.01 0.00 0.00 176.35 176.47 1q80 s LEU 145 N -2.47 3.92 0.78 1.79 1.43 -0.08 -4.72 118.68 119.34 1q80 s LEU 145 Ca 0.09 -1.27 -0.11 0.00 -1.03 0.00 0.00 54.13 51.82 1q80 s LEU 145 Cb -0.05 -1.72 0.07 0.00 0.03 0.00 0.00 46.19 44.53 1q80 s LEU 145 CO 0.03 -0.26 1.14 -0.94 0.23 0.00 0.00 176.35 176.55 1q80 s SER 146 N 1.26 4.58 0.23 2.29 1.04 -1.26 -1.56 113.70 120.29 1q80 s SER 146 Ca -0.05 0.70 -0.06 0.00 0.48 0.00 0.00 55.95 57.02 1q80 s SER 146 Cb -0.20 -1.23 0.36 0.00 0.10 0.00 0.00 66.02 65.05 1q80 s SER 146 CO -0.01 -1.83 1.80 0.25 0.98 0.00 0.00 173.24 174.43 1q80 h LEU 147 N -0.94 0.61 -0.11 2.42 5.85 -2.01 -2.40 115.31 118.72 1q80 h LEU 147 Ca -0.46 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.33 1q80 h LEU 147 Cb 1.33 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1q80 h LEU 147 CO 0.65 0.36 -0.02 -0.08 -0.34 0.00 0.00 178.44 179.00 1q80 h GLU 148 N 0.73 0.01 -0.35 1.25 4.57 -1.95 -1.52 114.58 117.33 1q80 h GLU 148 Ca 0.37 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.54 1q80 h GLU 148 Cb 0.33 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1q80 h GLU 148 CO -0.24 0.01 0.19 0.93 -1.18 0.00 0.00 179.01 178.72 1q80 h GLU 149 N 0.01 0.49 -0.27 1.92 3.07 -1.90 -1.63 114.58 116.27 1q80 h GLU 149 Ca 0.05 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1q80 h GLU 149 Cb 0.07 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1q80 h GLU 149 CO -0.10 0.41 0.18 0.35 -1.40 0.00 0.00 179.01 178.45 1q80 h PHE 150 N 0.44 0.35 -0.32 4.33 3.57 -1.38 -1.40 116.94 122.53 1q80 h PHE 150 Ca 0.12 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 1q80 h PHE 150 Cb 0.07 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1q80 h PHE 150 CO -0.03 0.24 -0.05 -0.39 -2.23 0.00 0.00 178.31 175.86 1q80 h VAL 151 N 0.36 1.27 0.77 1.41 -1.51 -1.24 -1.17 116.25 116.15 1q80 h VAL 151 Ca 0.10 -1.06 -0.04 0.00 -1.23 0.00 0.00 66.70 64.47 1q80 h VAL 151 Cb -0.02 1.31 0.01 0.00 -2.13 0.00 0.00 31.29 30.46 1q80 h VAL 151 CO -0.02 0.34 -0.37 0.40 -1.23 0.00 0.00 177.57 176.69 1q80 h ILE 152 N 0.38 0.24 -0.98 7.19 2.04 -1.28 -1.40 117.51 123.71 1q80 h ILE 152 Ca 0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1q80 h ILE 152 Cb 0.52 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1q80 h ILE 152 CO 0.03 0.00 0.64 0.00 0.00 0.00 0.00 178.15 178.82 1q80 h ALA 153 N -0.80 1.33 -0.38 1.87 0.00 -1.34 -1.56 119.26 118.37 1q80 h ALA 153 Ca -0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1q80 h ALA 153 Cb 0.80 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1q80 h ALA 153 CO 0.17 0.61 0.11 0.78 0.00 0.00 0.00 179.25 180.92 1q80 h GLY 154 N 1.29 0.65 0.83 0.00 0.00 -1.20 -1.37 103.07 103.28 1q80 h GLY 154 Ca 0.37 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.34 1q80 h GLY 154 CO -0.09 0.37 0.43 0.23 0.00 0.00 0.00 176.54 177.47 1q80 h SER 155 N 0.47 0.69 -0.69 0.19 0.87 -1.03 -1.87 113.55 112.18 1q80 h SER 155 Ca 0.12 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1q80 h SER 155 Cb 0.27 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1q80 h SER 155 CO -0.00 0.47 0.39 0.44 -0.53 0.00 0.00 176.83 177.60 1q80 h ASP 156 N 0.83 0.86 0.26 6.23 3.32 -1.14 0.32 116.42 127.10 1q80 h ASP 156 Ca 0.29 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1q80 h ASP 156 Cb 0.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1q80 h ASP 156 CO -0.12 0.69 -0.25 0.15 -1.72 0.00 0.00 179.24 178.00 1q80 h PHE 157 N 0.95 -0.65 -0.10 4.55 3.57 -1.00 -0.01 116.94 124.25 1q80 h PHE 157 Ca 0.25 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1q80 h PHE 157 Cb 0.02 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 1q80 h PHE 157 CO -0.01 -0.36 0.01 0.74 -2.23 0.00 0.00 178.31 176.46 1q80 h PHE 158 N -0.53 0.19 0.00 0.41 0.04 -1.33 -3.42 116.94 112.29 1q80 h PHE 158 Ca -0.01 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1q80 h PHE 158 Cb 0.49 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.59 1q80 h PHE 158 CO -0.16 0.39 0.00 -1.33 -0.60 0.00 0.00 178.31 176.61 1q80 n MET 159 N -4.84 0.00 -0.64 1.51 2.81 0.10 -4.92 117.12 111.13 1q80 n MET 159 Ca -0.06 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.67 1q80 n MET 159 Cb 0.18 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.62 1q80 n MET 159 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1q80 n ASN 160 N 0.00 -0.02 -0.09 7.83 5.03 -0.02 -4.76 115.26 123.23 1q80 n ASN 160 Ca 0.00 0.02 0.16 0.00 0.87 0.00 0.00 54.58 55.63 1q80 n ASN 160 Cb 0.00 -0.36 0.57 0.00 -1.02 0.00 0.00 39.78 38.96 1q80 n ASN 160 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 1q80 h ASP 161 N 5.04 0.25 -0.78 6.41 3.04 -1.91 -3.46 116.42 125.01 1q80 h ASP 161 Ca -0.01 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1q80 h ASP 161 Cb 0.54 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.80 1q80 h ASP 161 CO 0.61 0.14 0.00 0.61 -2.04 0.00 0.00 179.24 178.56 1q80 n GLY 162 N -1.56 0.75 0.00 7.15 0.00 -1.26 -3.00 105.19 107.26 1q80 n GLY 162 Ca 0.12 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1q80 n GLY 162 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q80 n ASP 163 N 0.00 0.00 0.00 1.61 5.68 -1.26 -4.86 116.55 117.72 1q80 n ASP 163 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1q80 n ASP 163 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1q80 n ASP 163 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1q80 n SER 164 N 0.00 0.00 0.00 -1.12 7.64 -1.26 -4.94 113.62 113.94 1q80 n SER 164 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1q80 n SER 164 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1q80 n SER 164 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1q80 n THR 165 N -0.10 0.00 1.30 0.44 5.66 -1.26 -1.36 114.28 118.96 1q80 n THR 165 Ca 0.00 0.17 0.11 0.00 -3.05 0.00 0.00 64.05 61.28 1q80 n THR 165 Cb 0.00 -1.17 0.63 0.00 -1.55 0.00 0.00 70.33 68.24 1q80 n THR 165 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1q80 n ASN 166 N 0.00 0.00 -0.10 1.09 2.04 -1.26 -4.72 115.26 112.31 1q80 n ASN 166 Ca 0.00 -0.55 0.07 0.00 -0.44 0.00 0.00 54.58 53.65 1q80 n ASN 166 Cb 0.00 -0.06 0.36 0.00 -2.53 0.00 0.00 39.78 37.55 1q80 n ASN 166 CO 0.00 0.00 0.00 2.29 -0.44 0.00 0.00 177.26 179.11 1q80 n LYS 167 N -1.06 1.13 -0.01 -3.83 2.85 -1.14 -3.34 118.16 112.77 1q80 n LYS 167 Ca 0.15 -0.20 -0.22 0.00 -1.05 0.00 0.00 58.31 57.00 1q80 n LYS 167 Cb 0.09 -1.22 -0.13 0.00 -0.65 0.00 0.00 35.03 33.12 1q80 n LYS 167 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 1q80 h VAL 168 N 0.38 0.70 0.00 0.58 3.04 -1.51 -3.37 116.25 116.07 1q80 h VAL 168 Ca 0.00 -2.31 0.00 0.00 -1.01 0.00 0.00 66.70 63.38 1q80 h VAL 168 Cb 0.08 2.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1q80 h VAL 168 CO 0.00 0.78 0.00 0.33 -1.01 0.00 0.00 177.57 177.67 1q80 n PHE 169 N -3.69 0.00 -1.80 3.17 -0.00 -1.21 -4.36 117.46 109.57 1q80 n PHE 169 Ca -0.32 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 56.99 1q80 n PHE 169 Cb 0.97 0.00 0.10 0.00 -0.00 0.00 0.00 39.48 40.55 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 0.00 1.83 -2.40 -5.13 7.02 -1.26 -4.98 117.44 112.52 1q80 n TRP 170 Ca 0.00 -2.00 0.00 0.00 -1.02 0.00 0.00 57.50 54.48 1q80 n TRP 170 Cb 0.00 -0.41 0.00 0.00 -2.42 0.00 0.00 31.31 28.48 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 -0.89 -0.01 3.77 6.99 0.00 -1.26 -4.90 105.19 108.90 1q80 n GLY 171 Ca 0.37 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1q80 n GLY 171 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q80 s PRO 172 N 0.00 4.59 -0.45 1.61 0.04 -1.26 -4.96 135.00 134.57 1q80 s PRO 172 Ca 0.00 1.47 -0.27 0.00 0.04 0.00 0.00 61.00 62.24 1q80 s PRO 172 Cb 0.00 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 1q80 s PRO 172 CO 0.00 0.26 1.94 -0.51 0.04 0.00 0.00 177.00 178.73 1q80 s LEU 173 N -1.85 3.41 0.00 -3.56 1.43 -1.26 -4.89 118.68 111.96 1q80 s LEU 173 Ca 0.48 0.95 0.16 0.00 -1.03 0.00 0.00 54.13 54.69 1q80 s LEU 173 Cb -0.23 -2.99 0.95 0.00 0.03 0.00 0.00 46.19 43.94 1q80 s LEU 173 CO 0.29 -2.15 1.36 1.33 0.23 0.00 0.00 176.35 177.40