#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 0.02 0.57 6.43 3.58 -1.99 -1.48 116.42 123.56 1q80 h ASP 2 Ca 0.00 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 1q80 h ASP 2 Cb 0.00 0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.15 1q80 h ASP 2 CO 0.00 0.05 -0.27 -0.07 -2.88 0.00 0.00 179.24 176.06 1q80 h LEU 3 N 0.23 -0.65 -0.55 2.28 3.38 -1.99 -0.36 115.31 117.65 1q80 h LEU 3 Ca 0.21 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1q80 h LEU 3 Cb 0.25 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1q80 h LEU 3 CO -0.26 -0.39 0.32 -0.25 0.09 0.00 0.00 178.44 177.95 1q80 h TRP 4 N -0.87 0.59 0.68 1.13 7.01 -1.74 -1.12 115.95 121.64 1q80 h TRP 4 Ca -0.08 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.91 1q80 h TRP 4 Cb 0.63 -0.19 0.01 0.00 -2.10 0.00 0.00 29.16 27.50 1q80 h TRP 4 CO -0.02 0.33 -0.33 0.28 -2.79 0.00 0.00 178.44 175.91 1q80 h VAL 5 N 0.63 0.32 -0.93 2.65 2.07 -1.27 -2.42 116.25 117.30 1q80 h VAL 5 Ca 0.23 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 1q80 h VAL 5 Cb 0.06 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 1q80 h VAL 5 CO -0.12 0.00 0.55 1.56 0.02 0.00 0.00 177.57 179.59 1q80 h GLN 6 N -0.93 1.27 -0.13 1.57 4.20 -1.01 -0.40 115.11 119.68 1q80 h GLN 6 Ca -0.09 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.45 1q80 h GLN 6 Cb 0.71 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1q80 h GLN 6 CO 0.15 0.90 -0.08 1.57 -0.67 0.00 0.00 178.83 180.70 1q80 h LYS 7 N 1.29 0.29 -0.89 1.46 2.10 -1.25 -0.55 116.57 119.01 1q80 h LYS 7 Ca 0.33 -0.14 0.09 0.00 -2.00 0.00 0.00 60.65 58.94 1q80 h LYS 7 Cb -0.04 -0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.23 1q80 h LYS 7 CO -0.06 0.65 0.57 1.98 -2.00 0.00 0.00 179.45 180.59 1q80 h MET 8 N -0.07 0.89 -0.63 0.07 4.05 -1.42 -1.59 114.93 116.23 1q80 h MET 8 Ca 0.03 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.31 1q80 h MET 8 Cb 0.57 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1q80 h MET 8 CO 0.02 0.59 0.09 -0.22 0.23 0.00 0.00 176.91 177.62 1q80 h LYS 9 N 0.92 1.06 -0.00 0.39 3.64 -0.92 -1.17 116.57 120.48 1q80 h LYS 9 Ca 0.40 -0.29 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1q80 h LYS 9 Cb 0.35 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1q80 h LYS 9 CO -0.17 0.99 -0.13 1.79 -2.27 0.00 0.00 179.45 179.66 1q80 h THR 10 N 0.97 0.67 -0.75 1.00 1.35 -0.17 -2.41 112.91 113.57 1q80 h THR 10 Ca 0.19 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 66.13 1q80 h THR 10 Cb 0.45 0.67 -0.07 0.00 -1.73 0.00 0.00 68.15 67.48 1q80 h THR 10 CO 0.02 0.00 0.41 0.22 -0.25 0.00 0.00 175.52 175.91 1q80 h TYR 11 N -0.22 0.74 0.54 4.73 3.20 -1.15 -0.13 116.97 124.67 1q80 h TYR 11 Ca 0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1q80 h TYR 11 Cb 0.28 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1q80 h TYR 11 CO -0.19 0.30 -0.29 0.35 -1.64 0.00 0.00 178.16 176.69 1q80 h PHE 12 N 0.70 -0.76 -0.25 -3.82 3.57 -1.01 0.10 116.94 115.48 1q80 h PHE 12 Ca 0.36 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1q80 h PHE 12 Cb 0.32 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1q80 h PHE 12 CO -0.08 -0.46 0.10 -0.91 -2.23 0.00 0.00 178.31 174.73 1q80 h ASN 13 N -0.77 0.30 0.16 0.41 4.21 -1.28 -1.61 115.58 117.01 1q80 h ASN 13 Ca -0.07 -0.02 -0.29 0.00 1.21 0.00 0.00 56.30 57.12 1q80 h ASN 13 Cb 0.61 -0.08 0.03 0.00 -1.12 0.00 0.00 38.32 37.76 1q80 h ASN 13 CO 0.09 0.28 -1.25 0.03 -1.29 0.00 0.00 177.43 175.30 1q80 h ARG 14 N 0.34 0.56 0.00 0.81 -0.00 -0.95 -3.32 114.38 111.83 1q80 h ARG 14 Ca 0.09 -0.82 -0.02 0.00 -0.50 0.00 0.00 59.98 58.73 1q80 h ARG 14 Cb 0.08 0.29 -0.00 0.00 0.00 0.00 0.00 29.97 30.33 1q80 h ARG 14 CO -0.01 1.38 -0.08 0.97 0.00 0.00 0.00 179.97 182.23 1q80 h ILE 15 N 0.15 0.19 0.00 2.04 6.09 -0.71 -3.36 117.51 121.91 1q80 h ILE 15 Ca -0.20 -0.81 -0.64 0.00 -1.37 0.00 0.00 64.86 61.84 1q80 h ILE 15 Cb 1.95 1.68 0.01 0.00 0.47 0.00 0.00 36.82 40.93 1q80 h ILE 15 CO 0.24 0.08 3.20 -0.67 -3.07 0.00 0.00 178.15 177.93 1q80 n ASP 16 N -3.19 5.56 -0.09 2.19 2.03 -0.61 -4.76 116.55 117.68 1q80 n ASP 16 Ca 0.01 -2.65 -0.10 0.00 0.52 0.00 0.00 54.79 52.57 1q80 n ASP 16 Cb 0.39 -1.47 -0.03 0.00 -0.72 0.00 0.00 41.12 39.29 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 5.96 0.43 0.00 -0.67 3.04 -1.84 -3.06 116.94 120.80 1q80 h PHE 17 Ca 0.65 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.55 1q80 h PHE 17 Cb 0.45 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1q80 h PHE 17 CO 1.65 0.47 0.00 -3.47 -2.02 0.00 0.00 178.31 174.94 1q80 n ASP 18 N -4.73 0.00 -0.56 0.41 -0.08 -1.26 -4.95 116.55 105.37 1q80 n ASP 18 Ca -0.03 -0.03 -0.05 0.00 -1.51 0.00 0.00 54.79 53.17 1q80 n ASP 18 Cb 0.16 -0.23 -0.02 0.00 2.34 0.00 0.00 41.12 43.36 1q80 n ASP 18 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1q80 n LYS 19 N -1.23 -1.71 0.11 -0.67 0.00 -1.16 -4.87 118.16 108.63 1q80 n LYS 19 Ca 0.08 0.50 0.10 0.00 -0.00 0.00 0.00 58.31 58.99 1q80 n LYS 19 Cb 0.11 -4.44 0.45 0.00 -0.00 0.00 0.00 35.03 31.15 1q80 n LYS 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1q80 n ASP 20 N 0.11 0.50 0.00 -5.58 -0.08 -1.26 -4.89 116.55 105.35 1q80 n ASP 20 Ca -0.05 0.66 0.00 0.00 -1.51 0.00 0.00 54.79 53.88 1q80 n ASP 20 Cb 0.36 -0.75 0.00 0.00 2.34 0.00 0.00 41.12 43.07 1q80 n ASP 20 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q80 n GLY 21 N -0.48 0.35 2.89 0.27 0.00 -1.26 -5.09 105.19 101.87 1q80 n GLY 21 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.08 0.44 -0.24 4.61 0.00 -1.26 -4.28 121.76 118.94 1q80 s ALA 22 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.66 1q80 s ALA 22 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1q80 s ALA 22 CO 0.00 0.01 0.99 0.42 0.00 0.00 0.00 175.76 177.18 1q80 s ILE 23 N 0.57 4.71 0.33 0.00 -1.09 0.12 -4.71 121.20 121.13 1q80 s ILE 23 Ca -0.06 1.87 -0.06 0.00 -2.23 0.00 0.00 60.65 60.17 1q80 s ILE 23 Cb -0.10 -4.27 0.01 0.00 -1.58 0.00 0.00 42.46 36.52 1q80 s ILE 23 CO -0.01 -0.18 0.51 0.28 -1.23 0.00 0.00 174.94 174.32 1q80 s THR 24 N 3.15 0.00 0.31 2.92 -1.32 -1.26 -1.95 115.64 117.49 1q80 s THR 24 Ca 0.42 -1.49 0.05 0.00 -1.21 0.00 0.00 61.69 59.46 1q80 s THR 24 Cb -0.15 -2.61 0.30 0.00 -1.51 0.00 0.00 72.50 68.54 1q80 s THR 24 CO 0.07 0.00 1.83 -0.09 -2.21 0.00 0.00 174.62 174.22 1q80 h ARG 25 N 2.12 0.80 -0.99 7.08 2.43 -1.94 -1.98 114.38 121.90 1q80 h ARG 25 Ca -0.29 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 58.89 1q80 h ARG 25 Cb 1.24 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 30.55 1q80 h ARG 25 CO 0.39 0.53 0.65 0.52 -1.51 0.00 0.00 179.97 180.54 1q80 h MET 26 N 0.82 1.17 0.10 0.20 2.86 -1.97 -1.27 114.93 116.84 1q80 h MET 26 Ca 0.51 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 1q80 h MET 26 Cb 0.71 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1q80 h MET 26 CO -0.28 0.78 -0.08 0.22 1.06 0.00 0.00 176.91 178.60 1q80 h ASP 27 N 1.21 -0.21 -0.50 1.22 1.82 -1.69 0.51 116.42 118.77 1q80 h ASP 27 Ca 0.41 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 57.04 1q80 h ASP 27 Cb 0.08 0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.14 1q80 h ASP 27 CO -0.14 -0.13 0.21 -0.26 -1.61 0.00 0.00 179.24 177.30 1q80 h PHE 28 N -0.19 0.80 -0.14 0.28 0.04 -1.38 0.56 116.94 116.91 1q80 h PHE 28 Ca -0.00 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 1q80 h PHE 28 Cb 0.18 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.08 1q80 h PHE 28 CO -0.10 0.63 -0.02 0.93 -0.60 0.00 0.00 178.31 179.15 1q80 h GLU 29 N 0.78 0.25 -0.41 1.51 5.08 -1.10 -0.37 114.58 120.33 1q80 h GLU 29 Ca 0.19 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1q80 h GLU 29 Cb 0.17 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1q80 h GLU 29 CO -0.02 0.52 0.17 0.77 -1.00 0.00 0.00 179.01 179.46 1q80 h SER 30 N -0.03 0.22 0.08 1.42 0.02 -0.72 -1.74 113.55 112.80 1q80 h SER 30 Ca 0.04 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1q80 h SER 30 Cb 0.42 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1q80 h SER 30 CO 0.01 0.17 -0.07 -0.03 -1.14 0.00 0.00 176.83 175.77 1q80 h MET 31 N 0.36 -0.16 -0.26 3.45 1.85 -0.88 -1.55 114.93 117.74 1q80 h MET 31 Ca 0.18 0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.30 1q80 h MET 31 Cb 0.13 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.17 1q80 h MET 31 CO -0.16 -0.10 0.12 0.00 -0.40 0.00 0.00 176.91 176.37 1q80 h ALA 32 N 0.75 0.31 -0.30 0.39 0.00 -0.94 0.69 119.26 120.15 1q80 h ALA 32 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1q80 h ALA 32 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1q80 h ALA 32 CO -0.01 -0.28 0.11 0.93 0.00 0.00 0.00 179.25 180.00 1q80 h GLU 33 N 0.26 0.46 -0.26 0.00 4.39 -1.32 0.17 114.58 118.27 1q80 h GLU 33 Ca 0.11 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 1q80 h GLU 33 Cb 0.04 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1q80 h GLU 33 CO -0.08 0.49 -0.05 0.00 -1.16 0.00 0.00 179.01 178.20 1q80 h ARG 34 N 0.34 0.50 -0.75 2.33 3.08 -1.24 -2.60 114.38 116.03 1q80 h ARG 34 Ca 0.10 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1q80 h ARG 34 Cb 0.21 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1q80 h ARG 34 CO -0.01 0.70 0.34 0.35 -1.07 0.00 0.00 179.97 180.29 1q80 h PHE 35 N 0.25 1.10 0.00 3.04 3.04 -0.88 -2.02 116.94 121.47 1q80 h PHE 35 Ca 0.07 -0.06 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1q80 h PHE 35 Cb 0.52 -0.34 -0.00 0.00 2.56 0.00 0.00 35.95 38.68 1q80 h PHE 35 CO 0.05 0.82 -0.12 0.00 -2.02 0.00 0.00 178.31 177.03 1q80 h ALA 36 N 1.17 1.53 -1.09 2.41 0.00 -0.95 -3.24 119.26 119.09 1q80 h ALA 36 Ca 0.26 -0.11 -0.42 0.00 0.00 0.00 0.00 54.91 54.63 1q80 h ALA 36 Cb 0.15 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 17.51 1q80 h ALA 36 CO -0.03 0.16 -1.05 1.63 0.00 0.00 0.00 179.25 179.96 1q80 n LYS 37 N -4.00 1.90 0.00 0.00 5.02 -0.98 -4.80 118.16 115.30 1q80 n LYS 37 Ca -0.02 -3.65 0.00 0.00 -2.02 0.00 0.00 58.31 52.62 1q80 n LYS 37 Cb 0.21 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1q80 n LYS 37 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1q80 n GLU 38 N -0.24 0.31 0.00 1.97 1.02 -0.77 -4.62 120.64 118.31 1q80 n GLU 38 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1q80 n GLU 38 Cb 0.78 -0.03 0.00 0.00 -0.02 0.00 0.00 31.44 32.17 1q80 n GLU 38 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1q80 n SER 39 N 0.00 0.01 0.00 1.62 2.88 -1.22 -5.05 113.62 111.86 1q80 n SER 39 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1q80 n SER 39 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1q80 n SER 39 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1q80 n GLU 40 N 0.00 0.00 -1.31 -1.46 -0.00 -1.26 -5.09 120.64 111.52 1q80 n GLU 40 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.18 1q80 n GLU 40 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.44 31.43 1q80 n GLU 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1q80 n MET 41 N -0.72 -3.41 -2.89 3.44 2.81 -1.26 -4.73 117.12 110.36 1q80 n MET 41 Ca 0.00 2.66 -0.44 0.00 -1.81 0.00 0.00 57.70 58.11 1q80 n MET 41 Cb 0.00 -3.37 -0.01 0.00 -0.71 0.00 0.00 33.22 29.13 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 -5.09 3.90 0.00 0.03 1.02 -1.07 -4.96 119.74 113.57 1q80 s LYS 42 Ca 0.00 -2.19 0.00 0.00 0.02 0.00 0.00 55.97 53.80 1q80 s LYS 42 Cb 0.00 -5.07 0.00 0.00 -0.52 0.00 0.00 37.83 32.24 1q80 s LYS 42 CO 0.00 -1.84 0.00 0.00 -0.92 0.00 0.00 175.35 172.59 1q80 n ALA 43 N 6.35 0.00 0.20 5.17 0.00 -1.26 -1.55 120.51 129.41 1q80 n ALA 43 Ca 0.34 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.88 1q80 n ALA 43 Cb 0.45 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.42 1q80 n ALA 43 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1q80 n GLU 44 N 0.00 0.13 0.12 0.00 -0.00 -1.26 -3.77 120.64 115.86 1q80 n GLU 44 Ca 0.00 0.58 0.08 0.00 -0.00 0.00 0.00 57.16 57.81 1q80 n GLU 44 Cb 0.00 -1.89 0.41 0.00 -0.00 0.00 0.00 31.44 29.96 1q80 n GLU 44 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1q80 n HIS 45 N -2.17 0.51 -0.33 -1.84 8.25 -0.60 -3.41 115.22 115.63 1q80 n HIS 45 Ca -0.01 0.27 0.10 0.00 -0.26 0.00 0.00 57.72 57.82 1q80 n HIS 45 Cb 0.07 -0.90 0.31 0.00 1.12 0.00 0.00 29.99 30.59 1q80 n HIS 45 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q80 h ALA 46 N 1.89 1.68 -0.45 -1.41 0.00 -1.87 -1.51 119.26 117.58 1q80 h ALA 46 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1q80 h ALA 46 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1q80 h ALA 46 CO 0.00 0.05 0.21 1.57 0.00 0.00 0.00 179.25 181.08 1q80 h LYS 47 N 0.83 0.65 -0.08 0.00 2.10 -1.91 -2.08 116.57 116.09 1q80 h LYS 47 Ca 0.50 -0.10 0.02 0.00 -2.00 0.00 0.00 60.65 59.07 1q80 h LYS 47 Cb 0.67 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 31.86 1q80 h LYS 47 CO -0.27 0.56 -0.04 0.28 -2.00 0.00 0.00 179.45 177.98 1q80 h VAL 48 N 0.58 0.86 -0.08 0.07 2.07 -1.64 0.11 116.25 118.22 1q80 h VAL 48 Ca 0.15 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1q80 h VAL 48 Cb 0.13 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1q80 h VAL 48 CO -0.02 0.00 0.00 0.25 0.02 0.00 0.00 177.57 177.83 1q80 h LEU 49 N -0.04 -0.02 -0.38 2.57 5.85 -1.31 -0.98 115.31 121.00 1q80 h LEU 49 Ca 0.05 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1q80 h LEU 49 Cb 0.11 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1q80 h LEU 49 CO -0.11 0.00 0.16 -0.03 -0.34 0.00 0.00 178.44 178.13 1q80 h MET 50 N 0.03 0.55 -0.20 1.25 4.05 -1.21 -1.15 114.93 118.26 1q80 h MET 50 Ca 0.04 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1q80 h MET 50 Cb 0.04 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1q80 h MET 50 CO -0.06 0.52 0.11 -0.44 0.23 0.00 0.00 176.91 177.27 1q80 h ASP 51 N 0.47 0.24 -0.58 1.39 3.32 -0.94 -0.78 116.42 119.54 1q80 h ASP 51 Ca 0.13 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1q80 h ASP 51 Cb 0.16 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1q80 h ASP 51 CO -0.01 0.24 0.07 -1.28 -1.72 0.00 0.00 179.24 176.54 1q80 h SER 52 N 0.22 0.95 0.13 6.45 0.87 -1.17 -0.97 113.55 120.02 1q80 h SER 52 Ca 0.07 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1q80 h SER 52 Cb 0.05 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1q80 h SER 52 CO -0.01 0.98 -0.06 -0.07 -0.53 0.00 0.00 176.83 177.14 1q80 h LEU 53 N 0.87 -0.15 -1.30 2.23 3.38 -1.21 -3.13 115.31 116.01 1q80 h LEU 53 Ca 0.17 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1q80 h LEU 53 Cb 0.46 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1q80 h LEU 53 CO 0.02 0.25 0.49 0.71 0.09 0.00 0.00 178.44 180.00 1q80 h THR 54 N -0.56 1.10 -0.89 0.22 1.35 -1.19 -2.87 112.91 110.06 1q80 h THR 54 Ca -0.02 -0.31 0.05 0.00 -0.55 0.00 0.00 66.41 65.58 1q80 h THR 54 Cb 0.44 0.13 -0.05 0.00 -1.73 0.00 0.00 68.15 66.93 1q80 h THR 54 CO 0.03 0.16 0.58 1.23 -0.25 0.00 0.00 175.52 177.28 1q80 h GLY 55 N 0.90 1.29 0.41 5.82 0.00 -1.19 -1.07 103.07 109.23 1q80 h GLY 55 Ca 0.30 -0.43 0.08 0.00 0.00 0.00 0.00 47.33 47.29 1q80 h GLY 55 CO -0.09 0.35 0.15 -2.08 0.00 0.00 0.00 176.54 174.86 1q80 h VAL 56 N 1.08 0.76 0.41 4.60 2.07 -1.45 -1.48 116.25 122.24 1q80 h VAL 56 Ca 0.37 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 1q80 h VAL 56 Cb 0.09 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1q80 h VAL 56 CO -0.12 0.05 -0.20 -0.25 0.02 0.00 0.00 177.57 177.08 1q80 h TRP 57 N 0.30 -0.51 -0.42 1.57 2.91 -1.58 -1.32 115.95 116.89 1q80 h TRP 57 Ca 0.26 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.34 1q80 h TRP 57 Cb 0.32 0.17 -0.09 0.00 -0.51 0.00 0.00 29.16 29.05 1q80 h TRP 57 CO -0.20 -0.32 -0.36 -0.44 -1.03 0.00 0.00 178.44 176.09 1q80 h ASP 58 N -1.12 -1.20 1.46 2.65 3.32 -1.14 -1.38 116.42 119.00 1q80 h ASP 58 Ca -0.06 0.20 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 1q80 h ASP 58 Cb 0.42 0.55 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1q80 h ASP 58 CO 0.09 -0.34 -0.56 0.78 -1.72 0.00 0.00 179.24 177.50 1q80 h ASN 59 N -0.27 0.00 0.00 6.45 2.35 -1.47 -3.43 115.58 119.21 1q80 h ASN 59 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1q80 h ASN 59 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1q80 h ASN 59 CO -0.57 0.26 0.00 0.49 -1.65 0.00 0.00 177.43 175.96 1q80 n PHE 60 N -3.04 -0.86 0.30 1.19 3.72 -1.04 -4.92 117.46 112.81 1q80 n PHE 60 Ca 0.01 0.15 0.18 0.00 -0.05 0.00 0.00 57.45 57.74 1q80 n PHE 60 Cb 0.65 0.33 0.90 0.00 -0.94 0.00 0.00 39.48 40.43 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 -1.66 4.37 5.85 -1.09 -3.25 115.31 119.54 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 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1q80 h LEU 61 CO 0.00 0.00 0.30 0.74 -0.34 0.00 0.00 178.44 179.14 1q80 h THR 62 N 0.00 1.01 0.00 1.05 2.02 -1.50 -3.16 112.91 112.33 1q80 h THR 62 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1q80 h THR 62 Cb 0.19 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1q80 h THR 62 CO 0.00 0.08 0.00 0.00 0.37 0.00 0.00 175.52 175.97 1q80 n ALA 63 N -2.50 1.86 0.25 6.16 0.00 -1.23 -1.61 120.51 123.44 1q80 n ALA 63 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1q80 n ALA 63 Cb 0.19 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 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 0.03 -0.50 0.00 2.07 -1.82 -3.38 116.25 112.64 1q80 h VAL 64 Ca 0.00 -0.49 -0.36 0.00 0.82 0.00 0.00 66.70 66.67 1q80 h VAL 64 Cb 0.13 0.04 -0.26 0.00 -1.52 0.00 0.00 31.29 29.68 1q80 h VAL 64 CO 0.00 0.01 -0.55 0.00 0.02 0.00 0.00 177.57 177.05 1q80 n ALA 65 N -2.72 4.63 -3.70 1.67 0.00 -1.26 -5.01 120.51 114.12 1q80 n ALA 65 Ca -0.09 -3.56 -0.22 0.00 0.00 0.00 0.00 53.44 49.57 1q80 n ALA 65 Cb 0.28 -0.46 0.04 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.89 -0.35 3.54 0.00 0.00 -1.22 -3.37 105.19 102.90 1q80 n GLY 66 Ca 0.37 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.56 -0.50 0.00 -0.02 0.00 -0.64 -4.98 105.19 97.49 1q80 n GLY 67 Ca -0.22 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1q80 n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q80 n LYS 68 N -4.88 3.06 0.00 1.61 4.81 -1.22 -5.00 118.16 116.55 1q80 n LYS 68 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1q80 n LYS 68 Cb 0.56 -0.34 0.00 0.00 0.02 0.00 0.00 35.03 35.27 1q80 n LYS 68 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q80 n GLY 69 N 0.35 2.39 3.11 3.14 0.00 -1.26 -4.87 105.19 108.04 1q80 n GLY 69 Ca 0.00 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 2.47 0.86 -0.61 1.01 -0.82 -4.81 121.20 119.29 1q80 s ILE 70 Ca 0.00 -1.55 -0.10 0.00 0.00 0.00 0.00 60.65 59.00 1q80 s ILE 70 Cb 0.00 -2.44 0.16 0.00 0.01 0.00 0.00 42.46 40.19 1q80 s ILE 70 CO 0.00 -0.06 1.19 1.51 0.00 0.00 0.00 174.94 177.58 1q80 s ASP 71 N 1.16 3.66 0.23 3.58 1.47 -1.26 -0.70 116.67 124.80 1q80 s ASP 71 Ca -0.08 0.08 -0.06 0.00 1.18 0.00 0.00 52.55 53.68 1q80 s ASP 71 Cb -0.20 -0.28 0.23 0.00 -0.34 0.00 0.00 42.92 42.32 1q80 s ASP 71 CO -0.04 -2.36 1.82 -0.08 0.68 0.00 0.00 175.17 175.20 1q80 h GLU 72 N -1.20 1.17 0.13 2.11 4.81 -2.00 -0.64 114.58 118.96 1q80 h GLU 72 Ca -0.42 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 58.64 1q80 h GLU 72 Cb 1.25 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1q80 h GLU 72 CO 0.41 0.91 -0.17 1.15 -0.73 0.00 0.00 179.01 180.58 1q80 h THR 73 N 1.16 0.61 -0.60 0.32 2.02 -1.97 -0.21 112.91 114.24 1q80 h THR 73 Ca 0.28 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.44 1q80 h THR 73 Cb 0.14 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1q80 h THR 73 CO -0.03 0.00 0.31 0.71 0.37 0.00 0.00 175.52 176.88 1q80 h THR 74 N -0.35 1.20 -0.19 3.16 1.35 -1.93 0.90 112.91 117.05 1q80 h THR 74 Ca 0.02 -0.55 -0.01 0.00 -0.55 0.00 0.00 66.41 65.32 1q80 h THR 74 Cb 0.36 0.46 -0.01 0.00 -1.73 0.00 0.00 68.15 67.23 1q80 h THR 74 CO -0.08 0.23 0.06 0.15 -0.25 0.00 0.00 175.52 175.63 1q80 h PHE 75 N 0.82 0.30 0.52 4.73 3.57 -1.01 0.80 116.94 126.67 1q80 h PHE 75 Ca 0.21 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1q80 h PHE 75 Cb 0.08 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 38.74 1q80 h PHE 75 CO -0.01 0.39 -0.25 0.82 -2.23 0.00 0.00 178.31 177.03 1q80 h ILE 76 N 0.13 0.47 -0.40 1.41 5.03 -0.93 -1.34 117.51 121.89 1q80 h ILE 76 Ca 0.06 -0.13 -0.04 0.00 -0.12 0.00 0.00 64.86 64.63 1q80 h ILE 76 Cb 0.23 0.53 -0.02 0.00 -3.03 0.00 0.00 36.82 34.53 1q80 h ILE 76 CO -0.00 0.02 0.09 0.78 -0.68 0.00 0.00 178.15 178.36 1q80 h ASN 77 N -0.78 0.61 -0.40 1.72 2.35 -0.88 -1.40 115.58 116.80 1q80 h ASN 77 Ca -0.07 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.39 1q80 h ASN 77 Cb 0.57 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1q80 h ASN 77 CO 0.12 0.69 0.05 -1.28 -1.65 0.00 0.00 177.43 175.35 1q80 h SER 78 N 0.50 0.66 -0.21 5.81 0.87 -0.90 -2.55 113.55 117.72 1q80 h SER 78 Ca 0.12 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1q80 h SER 78 Cb 0.32 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1q80 h SER 78 CO 0.00 0.77 0.05 0.24 -0.53 0.00 0.00 176.83 177.36 1q80 h MET 79 N 0.52 0.34 -0.59 2.24 2.86 -1.25 -1.55 114.93 117.51 1q80 h MET 79 Ca 0.12 -0.08 0.12 0.00 -2.06 0.00 0.00 59.70 57.79 1q80 h MET 79 Cb 0.40 -0.04 -0.11 0.00 0.06 0.00 0.00 31.60 31.91 1q80 h MET 79 CO 0.01 0.47 -0.16 -0.22 1.06 0.00 0.00 176.91 178.07 1q80 h LYS 80 N 0.16 -0.01 0.00 1.72 3.64 -1.24 -2.60 116.57 118.24 1q80 h LYS 80 Ca 0.07 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1q80 h LYS 80 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1q80 h LYS 80 CO 0.00 -0.01 -0.00 0.93 -2.27 0.00 0.00 179.45 178.10 1q80 h GLU 81 N -0.01 0.00 -0.99 1.90 3.07 -1.52 -3.37 114.58 113.67 1q80 h GLU 81 Ca 0.28 -0.00 0.18 0.00 -0.50 0.00 0.00 59.36 59.32 1q80 h GLU 81 Cb 0.44 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.25 1q80 h GLU 81 CO -0.61 1.00 0.59 0.52 -1.40 0.00 0.00 179.01 179.11 1q80 h MET 82 N -1.00 0.73 -0.10 2.33 2.86 -1.27 -2.67 114.93 115.81 1q80 h MET 82 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1q80 h MET 82 Cb 1.00 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1q80 h MET 82 CO 0.00 0.48 0.00 0.28 1.06 0.00 0.00 176.91 178.73 1q80 n VAL 83 N -4.78 0.13 0.09 -2.22 0.31 -0.98 -3.81 118.33 107.07 1q80 n VAL 83 Ca 0.22 -0.25 -0.16 0.00 -0.01 0.00 0.00 64.34 64.15 1q80 n VAL 83 Cb 0.55 0.23 -0.10 0.00 -0.91 0.00 0.00 33.84 33.61 1q80 n VAL 83 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1q80 h LYS 84 N 1.73 0.37 -6.01 5.55 1.57 -1.63 -3.45 116.57 114.71 1q80 h LYS 84 Ca 0.00 -0.51 -0.57 0.00 -1.87 0.00 0.00 60.65 57.70 1q80 h LYS 84 Cb 0.38 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 1q80 h LYS 84 CO 0.00 1.19 0.40 1.21 -0.57 0.00 0.00 179.45 181.68 1q80 s ASN 85 N -7.17 7.01 0.66 0.86 2.47 -1.25 -4.99 114.94 112.54 1q80 s ASN 85 Ca -0.05 1.24 0.42 0.00 0.42 0.00 0.00 52.86 54.88 1q80 s ASN 85 Cb 0.08 -2.47 2.26 0.00 -1.45 0.00 0.00 41.25 39.67 1q80 s ASN 85 CO 0.88 -0.38 2.27 1.55 -3.72 0.00 0.00 177.10 177.70 1q80 h PRO 86 N 7.24 0.00 -0.70 0.43 0.13 -1.89 -3.19 132.00 134.01 1q80 h PRO 86 Ca -0.31 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.85 1q80 h PRO 86 Cb 1.14 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1q80 h PRO 86 CO 0.83 0.00 0.46 1.49 -0.23 0.00 0.00 178.00 180.56 1q80 h GLU 87 N 0.00 0.84 -0.21 0.86 4.81 -1.94 -3.25 114.58 115.70 1q80 h GLU 87 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1q80 h GLU 87 Cb 0.13 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1q80 h GLU 87 CO 0.00 0.55 0.00 0.00 -0.73 0.00 0.00 179.01 178.83 1q80 n ALA 88 N -2.44 2.47 -0.34 2.92 0.00 -1.21 -4.62 120.51 117.30 1q80 n ALA 88 Ca 0.09 -0.37 0.16 0.00 0.00 0.00 0.00 53.44 53.32 1q80 n ALA 88 Cb 0.11 -0.99 0.38 0.00 0.00 0.00 0.00 19.45 18.95 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 1.24 0.62 -0.50 0.00 1.57 -1.80 -2.61 116.57 115.09 1q80 h LYS 89 Ca 0.00 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.85 1q80 h LYS 89 Cb 0.28 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1q80 h LYS 89 CO 0.00 0.41 0.34 0.66 -0.57 0.00 0.00 179.45 180.29 1q80 h SER 90 N 0.64 0.19 0.81 0.86 4.64 -1.90 -1.39 113.55 117.39 1q80 h SER 90 Ca 0.59 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.91 1q80 h SER 90 Cb 1.09 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1q80 h SER 90 CO -0.38 0.11 -0.04 0.58 -0.87 0.00 0.00 176.83 176.23 1q80 h VAL 91 N 0.21 0.13 0.03 0.95 2.07 -1.83 -0.47 116.25 117.33 1q80 h VAL 91 Ca 0.23 -0.53 -0.31 0.00 0.82 0.00 0.00 66.70 66.92 1q80 h VAL 91 Cb 0.65 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1q80 h VAL 91 CO -0.04 0.04 -1.69 0.52 0.02 0.00 0.00 177.57 176.42 1q80 n VAL 92 N -3.18 1.59 -0.07 2.57 0.31 -0.60 -4.69 118.33 114.25 1q80 n VAL 92 Ca -0.00 -0.25 -0.14 0.00 -0.01 0.00 0.00 64.34 63.93 1q80 n VAL 92 Cb 0.28 -1.92 -0.12 0.00 -0.91 0.00 0.00 33.84 31.18 1q80 n VAL 92 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1q80 h GLU 93 N -0.71 0.00 -1.00 5.55 5.08 -1.40 -3.41 114.58 118.69 1q80 h GLU 93 Ca -0.43 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.23 1q80 h GLU 93 Cb 1.55 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.62 1q80 h GLU 93 CO -0.17 0.93 0.13 0.78 -1.00 0.00 0.00 179.01 179.68 1q80 h GLY 94 N -1.00 1.46 2.00 -3.84 0.00 -1.32 -1.82 103.07 98.56 1q80 h GLY 94 Ca -0.06 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1q80 h GLY 94 CO -0.04 -0.58 0.00 -2.55 0.00 0.00 0.00 176.54 173.37 1q80 h PRO 95 N 0.00 0.00 0.40 4.80 0.11 -1.80 -3.37 132.00 132.14 1q80 h PRO 95 Ca 0.65 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.75 1q80 h PRO 95 Cb 1.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.56 1q80 h PRO 95 CO -0.90 0.00 -0.19 1.25 -0.21 0.00 0.00 178.00 177.95 1q80 h LEU 96 N 0.00 -0.45 -1.57 2.35 5.85 -1.61 -0.40 115.31 119.47 1q80 h LEU 96 Ca 0.00 -0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.81 1q80 h LEU 96 Cb 0.17 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1q80 h LEU 96 CO 0.00 -0.25 0.47 -0.65 -0.34 0.00 0.00 178.44 177.67 1q80 h PRO 97 N -0.62 0.44 -0.47 5.25 0.11 -1.80 -1.70 132.00 133.20 1q80 h PRO 97 Ca -0.05 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.93 1q80 h PRO 97 Cb 0.46 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1q80 h PRO 97 CO 0.09 0.29 -0.09 1.25 -0.21 0.00 0.00 178.00 179.33 1q80 h LEU 98 N 0.45 0.90 -0.60 2.35 5.85 -1.72 -2.36 115.31 120.17 1q80 h LEU 98 Ca 0.33 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1q80 h LEU 98 Cb 0.68 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1q80 h LEU 98 CO -0.11 1.04 0.26 -0.26 -0.34 0.00 0.00 178.44 179.03 1q80 h PHE 99 N 0.74 0.91 -0.49 1.25 0.04 -0.47 -2.27 116.94 116.64 1q80 h PHE 99 Ca 0.12 -0.06 0.06 0.00 2.80 0.00 0.00 57.97 60.89 1q80 h PHE 99 Cb 0.63 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 38.46 1q80 h PHE 99 CO 0.05 0.71 0.20 0.35 -0.60 0.00 0.00 178.31 179.02 1q80 h PHE 100 N 0.84 0.36 -0.91 -0.55 3.57 -1.25 -1.45 116.94 117.54 1q80 h PHE 100 Ca 0.20 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1q80 h PHE 100 Cb 0.18 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1q80 h PHE 100 CO 0.01 0.14 0.57 -0.09 -2.23 0.00 0.00 178.31 176.71 1q80 h ARG 101 N 0.39 1.22 -0.29 1.11 9.65 -1.30 -0.82 114.38 124.34 1q80 h ARG 101 Ca 0.23 -0.10 -0.04 0.00 -1.10 0.00 0.00 59.98 58.98 1q80 h ARG 101 Cb 0.21 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 1q80 h ARG 101 CO -0.21 0.84 0.04 0.00 2.80 0.00 0.00 179.97 183.43 1q80 h ALA 102 N 1.31 0.39 -0.57 2.80 0.00 -1.14 -3.26 119.26 118.80 1q80 h ALA 102 Ca 0.33 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1q80 h ALA 102 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1q80 h ALA 102 CO -0.07 0.09 -0.04 0.28 0.00 0.00 0.00 179.25 179.51 1q80 h VAL 103 N 0.30 1.27 0.00 0.00 2.07 -1.18 -3.31 116.25 115.40 1q80 h VAL 103 Ca 0.09 -1.19 -0.15 0.00 0.82 0.00 0.00 66.70 66.27 1q80 h VAL 103 Cb 0.36 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1q80 h VAL 103 CO 0.01 0.43 0.17 -0.67 0.02 0.00 0.00 177.57 177.53 1q80 n ASP 104 N -4.19 3.57 0.00 0.57 2.03 -0.32 -4.62 116.55 113.59 1q80 n ASP 104 Ca 0.02 -2.15 0.04 0.00 0.52 0.00 0.00 54.79 53.22 1q80 n ASP 104 Cb 0.37 -0.94 0.19 0.00 -0.72 0.00 0.00 41.12 40.01 1q80 n ASP 104 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1q80 n THR 105 N 2.80 1.41 0.14 5.18 5.66 -1.25 -1.66 114.28 126.55 1q80 n THR 105 Ca 0.30 0.35 0.08 0.00 -3.05 0.00 0.00 64.05 61.73 1q80 n THR 105 Cb 0.56 -1.21 0.05 0.00 -1.55 0.00 0.00 70.33 68.18 1q80 n THR 105 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1q80 h ASN 106 N 0.00 0.00 -1.52 1.09 7.08 -1.95 -2.82 115.58 117.46 1q80 h ASN 106 Ca 0.00 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 53.10 1q80 h ASN 106 Cb 0.15 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.40 1q80 h ASN 106 CO 0.00 0.22 -0.18 1.21 -2.08 0.00 0.00 177.43 176.60 1q80 n GLU 107 N -2.99 -1.26 -0.03 4.14 2.13 -0.67 -4.91 120.64 117.06 1q80 n GLU 107 Ca 0.00 0.28 -0.10 0.00 0.66 0.00 0.00 57.16 58.00 1q80 n GLU 107 Cb 0.64 -3.91 -0.14 0.00 0.27 0.00 0.00 31.44 28.30 1q80 n GLU 107 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1q80 n ASP 108 N 0.53 0.92 0.00 4.31 -0.08 -1.26 -5.01 116.55 115.96 1q80 n ASP 108 Ca -0.04 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1q80 n ASP 108 Cb 0.54 -0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1q80 n ASP 108 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1q80 n ASN 109 N -3.06 -2.61 -3.74 1.67 3.02 -1.26 -5.07 115.26 104.21 1q80 n ASN 109 Ca -0.21 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.21 1q80 n ASN 109 Cb 1.07 -0.43 -0.13 0.00 -0.61 0.00 0.00 39.78 39.67 1q80 n ASN 109 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1q80 s ASN 110 N -2.72 -0.20 -0.25 6.41 0.01 -1.26 -3.87 114.94 113.06 1q80 s ASN 110 Ca 0.00 0.43 -0.11 0.00 -0.71 0.00 0.00 52.86 52.47 1q80 s ASN 110 Cb 0.00 0.32 -0.05 0.00 0.41 0.00 0.00 41.25 41.93 1q80 s ASN 110 CO 0.00 -0.15 0.17 -0.63 -1.51 0.00 0.00 177.10 174.98 1q80 s ILE 111 N 1.10 5.35 0.71 0.60 1.01 -0.03 -4.83 121.20 125.11 1q80 s ILE 111 Ca -0.08 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 1q80 s ILE 111 Cb -0.10 -3.51 0.07 0.00 0.01 0.00 0.00 42.46 38.93 1q80 s ILE 111 CO -0.07 0.32 1.03 -0.94 0.00 0.00 0.00 174.94 175.28 1q80 s SER 112 N 1.21 4.77 0.16 3.58 1.04 -1.26 -0.96 113.70 122.23 1q80 s SER 112 Ca 0.07 0.45 -0.17 0.00 0.48 0.00 0.00 55.95 56.79 1q80 s SER 112 Cb -0.14 -1.08 0.08 0.00 0.10 0.00 0.00 66.02 64.97 1q80 s SER 112 CO 0.06 -1.63 1.70 0.03 0.98 0.00 0.00 173.24 174.37 1q80 h ARG 113 N -0.63 0.07 -0.21 4.02 3.08 -1.99 -1.52 114.38 117.20 1q80 h ARG 113 Ca -0.44 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.48 1q80 h ARG 113 Cb 1.31 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1q80 h ARG 113 CO 0.60 0.05 -0.38 0.22 -1.07 0.00 0.00 179.97 179.38 1q80 h ASP 114 N 0.07 0.50 -0.21 7.04 3.58 -1.95 -1.51 116.42 123.94 1q80 h ASP 114 Ca 0.17 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1q80 h ASP 114 Cb 0.25 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1q80 h ASP 114 CO -0.31 0.84 0.10 -0.33 -2.88 0.00 0.00 179.24 176.67 1q80 h GLU 115 N 0.40 0.30 -0.96 0.28 5.08 -1.85 0.17 114.58 118.01 1q80 h GLU 115 Ca 0.04 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1q80 h GLU 115 Cb 0.85 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 1q80 h GLU 115 CO 0.07 0.31 0.63 -0.92 -1.00 0.00 0.00 179.01 178.11 1q80 h TYR 116 N 0.22 1.19 -0.19 4.33 3.20 -1.29 -1.64 116.97 122.79 1q80 h TYR 116 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1q80 h TYR 116 Cb 0.11 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 1q80 h TYR 116 CO -0.03 0.73 0.12 0.78 -1.64 0.00 0.00 178.16 178.12 1q80 h GLY 117 N 1.26 0.27 0.67 1.82 0.00 -0.85 -1.53 103.07 104.71 1q80 h GLY 117 Ca 0.37 -0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.66 1q80 h GLY 117 CO -0.09 0.09 0.37 -2.22 0.00 0.00 0.00 176.54 174.69 1q80 h ILE 118 N 0.25 0.96 -0.17 2.60 5.03 -0.35 -0.96 117.51 124.88 1q80 h ILE 118 Ca 0.07 -0.24 0.04 0.00 -0.12 0.00 0.00 64.86 64.62 1q80 h ILE 118 Cb -0.02 0.21 -0.05 0.00 -3.03 0.00 0.00 36.82 33.94 1q80 h ILE 118 CO -0.02 0.13 -0.12 0.15 -0.68 0.00 0.00 178.15 177.61 1q80 h PHE 119 N 0.69 -0.28 -0.42 1.37 3.57 -1.14 -1.54 116.94 119.18 1q80 h PHE 119 Ca 0.30 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.90 1q80 h PHE 119 Cb 0.20 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 1q80 h PHE 119 CO -0.08 -0.18 0.06 0.74 -2.23 0.00 0.00 178.31 176.63 1q80 h PHE 120 N -0.12 0.09 -0.62 0.41 -1.00 -0.64 -1.73 116.94 113.33 1q80 h PHE 120 Ca 0.10 0.03 0.06 0.00 2.81 0.00 0.00 57.97 60.96 1q80 h PHE 120 Cb 0.27 0.02 -0.05 0.00 3.61 0.00 0.00 35.95 39.80 1q80 h PHE 120 CO -0.26 -0.02 0.33 0.78 -1.61 0.00 0.00 178.31 177.54 1q80 h GLY 121 N 0.18 0.90 0.98 -1.45 0.00 -0.92 -2.45 103.07 100.32 1q80 h GLY 121 Ca 0.21 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.32 1q80 h GLY 121 CO -0.29 0.14 0.37 -0.33 0.00 0.00 0.00 176.54 176.42 1q80 h MET 122 N 0.62 0.72 0.00 4.80 2.86 -0.75 -2.79 114.93 120.39 1q80 h MET 122 Ca 0.28 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1q80 h MET 122 Cb 0.18 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1q80 h MET 122 CO -0.18 0.48 0.00 1.28 1.06 0.00 0.00 176.91 179.55 1q80 n LEU 123 N -4.71 0.00 -0.32 1.22 7.99 -0.70 -4.82 117.00 115.66 1q80 n LEU 123 Ca 0.04 0.34 0.00 0.00 -0.01 0.00 0.00 56.01 56.37 1q80 n LEU 123 Cb 0.03 -0.34 0.00 0.00 -0.11 0.00 0.00 43.42 43.00 1q80 n LEU 123 CO 0.35 -0.34 0.00 0.61 -1.51 0.00 0.00 177.39 176.50 1q80 n GLY 124 N -1.33 0.90 0.00 -0.72 0.00 -1.05 -4.81 105.19 98.17 1q80 n GLY 124 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.32 0.00 -3.64 0.99 4.77 -0.94 -5.05 117.00 112.81 1q80 n LEU 125 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1q80 n LEU 125 Cb 0.28 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 1q80 n LEU 125 CO 0.00 0.00 0.81 -0.62 -1.33 0.00 0.00 177.39 176.25 1q80 s ASP 126 N 1.00 -0.36 0.34 -1.43 2.15 -1.24 -4.70 116.67 112.43 1q80 s ASP 126 Ca 0.00 0.62 0.14 0.00 0.43 0.00 0.00 52.55 53.74 1q80 s ASP 126 Cb 0.00 0.96 1.09 0.00 -0.30 0.00 0.00 42.92 44.67 1q80 s ASP 126 CO 0.00 -0.10 1.64 0.07 -0.17 0.00 0.00 175.17 176.61 1q80 h LYS 127 N 5.08 0.23 -0.77 4.34 5.09 -1.84 -1.65 116.57 127.04 1q80 h LYS 127 Ca -0.28 -0.01 0.22 0.00 0.09 0.00 0.00 60.65 60.67 1q80 h LYS 127 Cb 1.18 -0.05 -0.03 0.00 0.10 0.00 0.00 32.23 33.43 1q80 h LYS 127 CO 0.18 0.15 0.56 1.15 -2.09 0.00 0.00 179.45 179.40 1q80 h THR 128 N 0.23 0.60 0.00 0.07 2.02 -1.98 -2.36 112.91 111.50 1q80 h THR 128 Ca 0.74 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.78 1q80 h THR 128 Cb 1.72 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1q80 h THR 128 CO -0.66 0.00 -0.64 -0.03 0.37 0.00 0.00 175.52 174.56 1q80 h MET 129 N 0.00 0.00 -0.99 6.66 1.85 -1.71 -3.39 114.93 117.35 1q80 h MET 129 Ca 0.36 0.00 0.15 0.00 -0.61 0.00 0.00 59.70 59.61 1q80 h MET 129 Cb 1.48 0.00 -0.10 0.00 0.43 0.00 0.00 31.60 33.41 1q80 h MET 129 CO -0.00 0.64 0.60 0.00 -0.40 0.00 0.00 176.91 177.75 1q80 h ALA 130 N 1.36 1.56 -0.88 0.39 0.00 -1.57 -3.29 119.26 116.83 1q80 h ALA 130 Ca -0.01 0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.19 1q80 h ALA 130 Cb 1.42 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.93 1q80 h ALA 130 CO 0.08 0.07 0.20 -1.35 0.00 0.00 0.00 179.25 178.25 1q80 h PRO 131 N 0.85 0.17 -0.26 0.00 0.11 -1.78 -1.16 132.00 129.94 1q80 h PRO 131 Ca 0.53 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.64 1q80 h PRO 131 Cb 0.69 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 1q80 h PRO 131 CO -0.33 0.11 0.14 0.00 -0.21 0.00 0.00 178.00 177.71 1q80 h ALA 132 N 1.80 0.31 -0.10 -0.75 0.00 -1.90 -1.49 119.26 117.13 1q80 h ALA 132 Ca 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.32 1q80 h ALA 132 Cb 1.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1q80 h ALA 132 CO -0.68 -0.26 -0.56 1.03 0.00 0.00 0.00 179.25 178.78 1q80 h SER 133 N 0.29 0.34 0.21 0.00 0.87 -1.67 -3.29 113.55 110.29 1q80 h SER 133 Ca 0.10 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1q80 h SER 133 Cb 0.02 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1q80 h SER 133 CO -0.06 0.83 -0.10 0.15 -0.53 0.00 0.00 176.83 177.11 1q80 h PHE 134 N 0.23 -0.26 -0.26 2.24 3.04 -1.03 -3.20 116.94 117.70 1q80 h PHE 134 Ca 0.00 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.02 1q80 h PHE 134 Cb 1.06 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.64 1q80 h PHE 134 CO 0.03 -0.05 0.20 -0.44 -2.02 0.00 0.00 178.31 176.02 1q80 h ASP 135 N -0.43 0.00 0.28 0.41 3.32 -1.38 -0.79 116.42 117.83 1q80 h ASP 135 Ca -0.03 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1q80 h ASP 135 Cb 0.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1q80 h ASP 135 CO 0.05 0.00 -0.27 0.00 -1.72 0.00 0.00 179.24 177.30 1q80 h ALA 136 N 1.86 1.53 0.08 3.45 0.00 -1.62 -3.30 119.26 121.26 1q80 h ALA 136 Ca 0.13 -0.24 -0.30 0.00 0.00 0.00 0.00 54.91 54.49 1q80 h ALA 136 Cb 0.52 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1q80 h ALA 136 CO -0.00 0.34 -1.63 0.82 0.00 0.00 0.00 179.25 178.77 1q80 h ILE 137 N 0.00 0.79 -0.36 0.00 2.04 -1.39 -3.45 117.51 115.14 1q80 h ILE 137 Ca -0.00 -2.29 -0.14 0.00 1.00 0.00 0.00 64.86 63.44 1q80 h ILE 137 Cb 0.48 2.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 1q80 h ILE 137 CO 0.03 0.64 0.40 -0.62 0.00 0.00 0.00 178.15 178.61 1q80 s ASP 138 N -6.97 4.20 0.21 1.72 2.15 -0.39 -4.86 116.67 112.73 1q80 s ASP 138 Ca -0.25 -0.83 -0.09 0.00 0.43 0.00 0.00 52.55 51.82 1q80 s ASP 138 Cb 0.06 -2.58 0.26 0.00 -0.30 0.00 0.00 42.92 40.36 1q80 s ASP 138 CO 0.70 -3.82 1.80 0.74 -0.17 0.00 0.00 175.17 174.42 1q80 h THR 139 N 6.92 0.93 0.00 1.71 2.02 -1.87 -2.68 112.91 119.94 1q80 h THR 139 Ca 0.07 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1q80 h THR 139 Cb 0.99 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1q80 h THR 139 CO 1.09 0.12 0.00 -0.55 0.37 0.00 0.00 175.52 176.55 1q80 h ASN 140 N 0.64 0.00 -4.45 4.18 -1.07 -1.97 -3.49 115.58 109.43 1q80 h ASN 140 Ca 0.31 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.39 1q80 h ASN 140 Cb 0.24 0.00 0.10 0.00 -2.07 0.00 0.00 38.32 36.58 1q80 h ASN 140 CO -0.21 0.00 -0.49 0.59 0.07 0.00 0.00 177.43 177.40 1q80 n ASN 141 N -3.01 -5.15 -0.12 6.14 4.13 -1.01 -4.99 115.26 111.25 1q80 n ASN 141 Ca 0.04 -0.38 0.09 0.00 1.68 0.00 0.00 54.58 56.00 1q80 n ASN 141 Cb 0.51 -3.75 -0.07 0.00 -1.54 0.00 0.00 39.78 34.93 1q80 n ASN 141 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1q80 n ASP 142 N -1.73 1.10 0.00 6.41 8.00 -1.26 -5.03 116.55 124.04 1q80 n ASP 142 Ca 0.01 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1q80 n ASP 142 Cb 0.54 0.85 0.00 0.00 -0.02 0.00 0.00 41.12 42.49 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 0.95 2.73 0.44 0.00 -1.26 -5.09 105.19 104.33 1q80 n GLY 143 Ca 0.05 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 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 0.07 -0.36 0.99 2.96 -1.26 -3.52 118.68 117.56 1q80 s LEU 144 Ca 0.00 0.13 -0.13 0.00 -0.22 0.00 0.00 54.13 53.90 1q80 s LEU 144 Cb 0.00 0.01 -0.01 0.00 0.50 0.00 0.00 46.19 46.70 1q80 s LEU 144 CO 0.00 -0.26 0.25 -0.76 -1.32 0.00 0.00 176.35 174.26 1q80 s LEU 145 N 2.22 4.65 0.99 -0.68 1.43 -0.14 -4.88 118.68 122.27 1q80 s LEU 145 Ca 0.04 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.42 1q80 s LEU 145 Cb -0.12 -2.13 0.20 0.00 0.03 0.00 0.00 46.19 44.17 1q80 s LEU 145 CO -0.04 -0.29 1.25 -0.94 0.23 0.00 0.00 176.35 176.56 1q80 s SER 146 N 1.70 2.84 0.15 2.29 1.04 -1.26 -0.85 113.70 119.61 1q80 s SER 146 Ca 0.06 0.44 -0.17 0.00 0.48 0.00 0.00 55.95 56.76 1q80 s SER 146 Cb -0.18 -0.60 0.03 0.00 0.10 0.00 0.00 66.02 65.37 1q80 s SER 146 CO 0.10 -2.92 1.78 0.25 0.98 0.00 0.00 173.24 173.43 1q80 h LEU 147 N -1.76 0.28 -0.65 2.42 5.85 -2.00 -2.55 115.31 116.91 1q80 h LEU 147 Ca -0.45 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.36 1q80 h LEU 147 Cb 1.26 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 1q80 h LEU 147 CO 0.42 0.21 0.32 -0.08 -0.34 0.00 0.00 178.44 178.96 1q80 h GLU 148 N 0.38 0.56 0.23 1.25 4.81 -1.95 0.30 114.58 120.16 1q80 h GLU 148 Ca 0.14 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1q80 h GLU 148 Cb 0.04 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1q80 h GLU 148 CO -0.09 0.37 -0.11 0.93 -0.73 0.00 0.00 179.01 179.37 1q80 h GLU 149 N 0.57 -0.30 -0.77 1.92 5.08 -1.92 -1.42 114.58 117.75 1q80 h GLU 149 Ca 0.31 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1q80 h GLU 149 Cb 0.28 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1q80 h GLU 149 CO -0.23 -0.09 0.51 0.35 -1.00 0.00 0.00 179.01 178.54 1q80 h PHE 150 N -0.46 0.97 -0.34 4.33 3.04 -1.28 -1.63 116.94 121.57 1q80 h PHE 150 Ca -0.03 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 1q80 h PHE 150 Cb 0.35 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 1q80 h PHE 150 CO -0.02 0.62 0.10 -0.24 -2.02 0.00 0.00 178.31 176.74 1q80 h VAL 151 N 1.04 1.21 0.07 1.41 3.04 -0.92 -1.32 116.25 120.79 1q80 h VAL 151 Ca 0.28 -0.71 -0.00 0.00 -1.01 0.00 0.00 66.70 65.26 1q80 h VAL 151 Cb -0.11 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.20 1q80 h VAL 151 CO -0.06 0.24 -0.03 0.40 -1.01 0.00 0.00 177.57 177.11 1q80 h ILE 152 N 0.40 0.94 -0.10 3.17 2.04 -1.16 -1.39 117.51 121.41 1q80 h ILE 152 Ca 0.11 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1q80 h ILE 152 Cb 0.27 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1q80 h ILE 152 CO -0.00 0.01 -0.23 0.00 0.00 0.00 0.00 178.15 177.93 1q80 h ALA 153 N 0.82 -0.22 -0.76 1.87 0.00 -1.29 -1.58 119.26 118.10 1q80 h ALA 153 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1q80 h ALA 153 Cb 0.09 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1q80 h ALA 153 CO 0.02 -0.70 0.29 0.78 0.00 0.00 0.00 179.25 179.64 1q80 h GLY 154 N -0.31 1.23 0.58 0.00 0.00 -1.26 -1.80 103.07 101.51 1q80 h GLY 154 Ca 0.09 -0.69 0.07 0.00 0.00 0.00 0.00 47.33 46.80 1q80 h GLY 154 CO -0.27 0.65 0.29 0.23 0.00 0.00 0.00 176.54 177.44 1q80 h SER 155 N 1.11 0.39 0.27 0.19 0.87 -1.03 -0.21 113.55 115.13 1q80 h SER 155 Ca 0.25 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1q80 h SER 155 Cb 0.24 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1q80 h SER 155 CO -0.02 0.25 -0.13 -0.78 -0.53 0.00 0.00 176.83 175.62 1q80 h ASP 156 N 0.54 -0.30 -0.41 6.23 3.58 -1.13 -1.16 116.42 123.78 1q80 h ASP 156 Ca 0.29 -0.08 0.09 0.00 0.42 0.00 0.00 57.03 57.75 1q80 h ASP 156 Cb 0.25 0.08 -0.09 0.00 1.72 0.00 0.00 39.33 41.30 1q80 h ASP 156 CO -0.22 -0.11 -0.17 0.15 -2.88 0.00 0.00 179.24 176.00 1q80 h PHE 157 N -0.48 -0.42 0.01 0.28 3.04 -1.12 -1.34 116.94 116.92 1q80 h PHE 157 Ca -0.04 0.04 -0.21 0.00 3.98 0.00 0.00 57.97 61.75 1q80 h PHE 157 Cb 0.36 0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 1q80 h PHE 157 CO -0.03 -0.25 -0.93 0.74 -2.02 0.00 0.00 178.31 175.82 1q80 h PHE 158 N -0.09 0.38 0.00 0.41 0.04 -1.08 -3.42 116.94 113.18 1q80 h PHE 158 Ca 0.20 -0.22 -0.16 0.00 2.80 0.00 0.00 57.97 60.60 1q80 h PHE 158 Cb 0.40 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 1q80 h PHE 158 CO -0.42 1.05 -1.59 -1.33 -0.60 0.00 0.00 178.31 175.42 1q80 n MET 159 N -3.66 1.49 -2.75 1.51 2.81 -0.44 -4.96 117.12 111.12 1q80 n MET 159 Ca -0.05 0.03 -0.43 0.00 -1.81 0.00 0.00 57.70 55.44 1q80 n MET 159 Cb 0.84 -1.21 -0.04 0.00 -0.71 0.00 0.00 33.22 32.10 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 -4.51 6.40 0.09 7.83 2.47 -0.51 -4.95 114.94 121.75 1q80 s ASN 160 Ca -0.09 -0.14 -0.20 0.00 0.42 0.00 0.00 52.86 52.85 1q80 s ASN 160 Cb 0.03 -2.48 -0.09 0.00 -1.45 0.00 0.00 41.25 37.26 1q80 s ASN 160 CO 0.29 -1.28 1.61 -0.78 -3.72 0.00 0.00 177.10 173.22 1q80 h ASP 161 N 9.35 0.27 -2.77 -4.21 3.58 -1.91 -3.44 116.42 117.29 1q80 h ASP 161 Ca -0.25 -0.19 -0.40 0.00 0.42 0.00 0.00 57.03 56.61 1q80 h ASP 161 Cb 1.07 -0.07 0.21 0.00 1.72 0.00 0.00 39.33 42.26 1q80 h ASP 161 CO 1.11 0.38 -0.32 0.61 -2.88 0.00 0.00 179.24 178.15 1q80 n GLY 162 N -0.64 -2.74 3.73 -0.78 0.00 -1.26 -4.30 105.19 99.19 1q80 n GLY 162 Ca -0.04 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 1q80 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q80 s ASP 163 N -2.41 7.49 0.00 1.61 2.15 -1.26 -4.92 116.67 119.33 1q80 s ASP 163 Ca 0.62 1.78 0.00 0.00 0.43 0.00 0.00 52.55 55.38 1q80 s ASP 163 Cb -0.17 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1q80 s ASP 163 CO 0.60 -0.06 0.00 -1.20 -0.17 0.00 0.00 175.17 174.35 1q80 n SER 164 N 2.75 0.00 0.00 -0.34 7.64 -1.26 -5.12 113.62 117.30 1q80 n SER 164 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1q80 n SER 164 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.00 0.00 0.87 0.44 5.66 -1.26 -4.93 114.28 115.06 1q80 n THR 165 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1q80 n THR 165 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 1q80 n THR 165 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1q80 n ASN 166 N -1.39 1.65 0.27 1.09 3.02 -1.26 -4.05 115.26 114.59 1q80 n ASN 166 Ca 0.00 -2.07 0.18 0.00 -0.03 0.00 0.00 54.58 52.66 1q80 n ASN 166 Cb 0.00 -0.51 0.83 0.00 -0.61 0.00 0.00 39.78 39.49 1q80 n ASN 166 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1q80 h LYS 167 N 0.23 0.00 -0.43 3.52 2.10 -1.90 -2.48 116.57 117.60 1q80 h LYS 167 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1q80 h LYS 167 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1q80 h LYS 167 CO 0.04 0.00 0.00 0.28 -2.00 0.00 0.00 179.45 177.77 1q80 n VAL 168 N -2.88 1.98 0.00 0.07 0.31 -1.26 -4.67 118.33 111.89 1q80 n VAL 168 Ca -0.01 -1.45 0.00 0.00 -0.01 0.00 0.00 64.34 62.87 1q80 n VAL 168 Cb 0.19 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 1q80 n VAL 168 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1q80 n PHE 169 N 0.30 0.00 -2.44 3.52 7.35 -0.93 -2.14 117.46 123.11 1q80 n PHE 169 Ca 0.22 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.68 1q80 n PHE 169 Cb 0.84 -0.24 0.01 0.00 0.35 0.00 0.00 39.48 40.45 1q80 n PHE 169 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 1q80 n TRP 170 N -1.20 2.81 -4.17 -5.13 7.02 -1.26 -5.05 117.44 110.46 1q80 n TRP 170 Ca 0.00 -2.85 0.00 0.00 -1.02 0.00 0.00 57.50 53.63 1q80 n TRP 170 Cb 0.17 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 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 -0.46 -0.07 3.76 6.99 0.00 -0.91 -4.84 105.19 109.67 1q80 n GLY 171 Ca 0.33 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 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 4.52 -0.55 1.61 0.04 -1.26 -4.79 135.00 134.57 1q80 s PRO 172 Ca 0.00 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 62.47 1q80 s PRO 172 Cb 0.00 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.50 1q80 s PRO 172 CO 0.00 0.14 1.91 -0.51 0.04 0.00 0.00 177.00 178.58 1q80 s LEU 173 N -1.77 3.34 0.00 -3.56 1.43 -1.26 -4.84 118.68 112.02 1q80 s LEU 173 Ca 0.48 0.57 0.10 0.00 -1.03 0.00 0.00 54.13 54.26 1q80 s LEU 173 Cb -0.29 -2.69 0.62 0.00 0.03 0.00 0.00 46.19 43.87 1q80 s LEU 173 CO 0.36 -2.33 1.06 1.33 0.23 0.00 0.00 176.35 177.01