#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 -0.11 -1.00 -3.46 3.04 -2.04 -1.49 116.42 111.36 1q80 h ASP 2 Ca 0.00 0.01 0.19 0.00 -3.24 0.00 0.00 57.03 53.99 1q80 h ASP 2 Cb 0.00 0.04 -0.10 0.00 -1.04 0.00 0.00 39.33 38.22 1q80 h ASP 2 CO 0.00 -0.06 0.61 -0.07 -2.04 0.00 0.00 179.24 177.69 1q80 h LEU 3 N -0.09 0.78 0.55 0.15 3.38 -1.98 0.14 115.31 118.24 1q80 h LEU 3 Ca -0.01 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1q80 h LEU 3 Cb 0.07 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1q80 h LEU 3 CO -0.00 0.28 -0.27 -0.25 0.09 0.00 0.00 178.44 178.29 1q80 h TRP 4 N 0.76 -0.69 -0.92 1.13 7.01 -1.90 -1.37 115.95 119.98 1q80 h TRP 4 Ca 0.57 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.59 1q80 h TRP 4 Cb 0.90 0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 28.13 1q80 h TRP 4 CO -0.00 -0.36 0.59 0.28 -2.79 0.00 0.00 178.44 176.16 1q80 h VAL 5 N -0.97 1.15 -0.60 2.65 2.07 -1.06 -2.64 116.25 116.84 1q80 h VAL 5 Ca -0.08 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1q80 h VAL 5 Cb 0.64 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1q80 h VAL 5 CO 0.12 0.21 0.12 1.56 0.02 0.00 0.00 177.57 179.61 1q80 h GLN 6 N 1.15 0.97 -0.33 1.57 1.08 -0.99 0.80 115.11 119.36 1q80 h GLN 6 Ca 0.37 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1q80 h GLN 6 Cb 0.01 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1q80 h GLN 6 CO -0.12 0.91 0.13 1.57 -0.95 0.00 0.00 178.83 180.37 1q80 h LYS 7 N 0.88 0.49 -0.49 1.46 2.10 -1.07 0.04 116.57 119.99 1q80 h LYS 7 Ca 0.19 -0.09 -0.03 0.00 -2.00 0.00 0.00 60.65 58.72 1q80 h LYS 7 Cb 0.39 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.61 1q80 h LYS 7 CO 0.01 0.49 0.20 0.52 -2.00 0.00 0.00 179.45 178.66 1q80 h MET 8 N 0.39 0.73 -0.49 0.07 2.86 -1.45 -1.91 114.93 115.13 1q80 h MET 8 Ca 0.11 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1q80 h MET 8 Cb 0.18 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1q80 h MET 8 CO -0.01 0.65 0.21 0.87 1.06 0.00 0.00 176.91 179.69 1q80 h LYS 9 N 0.64 0.69 0.55 1.72 1.57 -0.80 -0.21 116.57 120.74 1q80 h LYS 9 Ca 0.16 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1q80 h LYS 9 Cb 0.19 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1q80 h LYS 9 CO -0.01 0.56 -0.51 1.15 -0.57 0.00 0.00 179.45 180.07 1q80 h THR 10 N 0.69 0.00 -0.87 -0.16 2.02 -0.52 -1.52 112.91 112.56 1q80 h THR 10 Ca 0.17 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.36 1q80 h THR 10 Cb 0.12 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.48 1q80 h THR 10 CO -0.02 0.00 0.58 0.22 0.37 0.00 0.00 175.52 176.67 1q80 h TYR 11 N -1.05 1.09 0.30 3.16 3.20 -1.28 -1.95 116.97 120.44 1q80 h TYR 11 Ca -0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1q80 h TYR 11 Cb 0.90 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1q80 h TYR 11 CO -0.23 0.68 -0.19 0.35 -1.64 0.00 0.00 178.16 177.13 1q80 h PHE 12 N 1.17 -0.50 -0.64 -3.82 3.04 -0.95 -0.91 116.94 114.34 1q80 h PHE 12 Ca 0.32 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.22 1q80 h PHE 12 Cb -0.13 0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.53 1q80 h PHE 12 CO -0.01 -0.30 0.20 -2.95 -2.02 0.00 0.00 178.31 173.23 1q80 h ASN 13 N -0.48 0.89 -0.39 0.41 7.08 -1.15 -1.17 115.58 120.78 1q80 h ASN 13 Ca -0.03 -0.15 -0.15 0.00 -3.08 0.00 0.00 56.30 52.89 1q80 h ASN 13 Cb 0.40 -0.23 -0.01 0.00 -2.08 0.00 0.00 38.32 36.40 1q80 h ASN 13 CO 0.03 0.84 -0.33 0.03 -2.08 0.00 0.00 177.43 175.91 1q80 h ARG 14 N 0.93 0.91 0.00 4.14 2.47 -1.26 -3.33 114.38 118.24 1q80 h ARG 14 Ca 0.21 -0.46 -0.06 0.00 -1.26 0.00 0.00 59.98 58.40 1q80 h ARG 14 Cb 0.26 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 1q80 h ARG 14 CO -0.01 1.11 -0.49 0.82 0.56 0.00 0.00 179.97 181.97 1q80 h ILE 15 N 0.73 0.43 0.00 2.04 5.03 -1.13 -3.41 117.51 121.20 1q80 h ILE 15 Ca 0.07 -1.64 -0.59 0.00 -0.12 0.00 0.00 64.86 62.58 1q80 h ILE 15 Cb 0.92 2.13 0.04 0.00 -3.03 0.00 0.00 36.82 36.88 1q80 h ILE 15 CO 0.09 0.25 2.40 -0.67 -0.68 0.00 0.00 178.15 179.53 1q80 n ASP 16 N -3.08 3.10 -0.09 1.72 2.03 -0.45 -4.74 116.55 115.04 1q80 n ASP 16 Ca 0.01 -2.60 -0.06 0.00 0.52 0.00 0.00 54.79 52.66 1q80 n ASP 16 Cb 0.66 -1.13 0.13 0.00 -0.72 0.00 0.00 41.12 40.05 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 7.46 0.84 0.00 -0.67 3.04 -1.82 -3.03 116.94 122.76 1q80 h PHE 17 Ca 0.44 -0.16 0.00 0.00 3.98 0.00 0.00 57.97 62.23 1q80 h PHE 17 Cb 0.55 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.84 1q80 h PHE 17 CO 1.42 0.85 0.00 0.22 -2.02 0.00 0.00 178.31 178.78 1q80 h ASP 18 N 0.69 0.00 0.00 0.41 1.82 -1.85 -3.49 116.42 114.00 1q80 h ASP 18 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1q80 h ASP 18 Cb 0.61 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1q80 h ASP 18 CO 0.04 0.00 0.00 2.29 -1.61 0.00 0.00 179.24 179.96 1q80 n LYS 19 N -2.61 -1.47 0.12 0.28 2.85 -1.15 -4.93 118.16 111.24 1q80 n LYS 19 Ca 0.01 0.37 0.13 0.00 -1.05 0.00 0.00 58.31 57.77 1q80 n LYS 19 Cb 0.27 -4.48 0.44 0.00 -0.65 0.00 0.00 35.03 30.61 1q80 n LYS 19 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1q80 n ASP 20 N -0.74 0.78 0.00 -5.58 5.75 -1.26 -4.94 116.55 110.56 1q80 n ASP 20 Ca 0.00 0.61 0.00 0.00 -0.01 0.00 0.00 54.79 55.39 1q80 n ASP 20 Cb 0.37 -0.81 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 1q80 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q80 n GLY 21 N 0.82 0.92 2.87 6.12 0.00 -1.26 -5.11 105.19 109.55 1q80 n GLY 21 Ca 0.04 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.16 -0.29 4.61 0.00 -1.26 -4.21 121.76 118.44 1q80 s ALA 22 Ca 0.00 0.57 -0.29 0.00 0.00 0.00 0.00 51.96 52.25 1q80 s ALA 22 Cb 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1q80 s ALA 22 CO 0.00 -0.19 1.05 0.42 0.00 0.00 0.00 175.76 177.03 1q80 s ILE 23 N 1.29 4.57 0.35 0.00 -1.09 0.28 -4.68 121.20 121.92 1q80 s ILE 23 Ca -0.08 1.79 0.00 0.00 -2.23 0.00 0.00 60.65 60.14 1q80 s ILE 23 Cb -0.12 -4.37 -0.00 0.00 -1.58 0.00 0.00 42.46 36.39 1q80 s ILE 23 CO -0.05 -0.38 0.44 0.42 -1.23 0.00 0.00 174.94 174.14 1q80 s THR 24 N 3.48 0.00 0.44 2.92 -4.23 -1.26 -2.21 115.64 114.78 1q80 s THR 24 Ca 0.44 -1.69 0.15 0.00 -1.18 0.00 0.00 61.69 59.41 1q80 s THR 24 Cb -0.13 -2.64 0.34 0.00 1.34 0.00 0.00 72.50 71.41 1q80 s THR 24 CO 0.12 0.00 1.97 -0.09 -0.54 0.00 0.00 174.62 176.08 1q80 h ARG 25 N 2.09 0.38 -0.54 3.99 2.43 -1.93 -2.90 114.38 117.90 1q80 h ARG 25 Ca -0.27 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 58.95 1q80 h ARG 25 Cb 1.24 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.64 1q80 h ARG 25 CO 0.38 0.25 0.19 0.52 -1.51 0.00 0.00 179.97 179.80 1q80 h MET 26 N 0.39 0.35 -0.37 0.20 2.86 -1.97 -1.48 114.93 114.91 1q80 h MET 26 Ca 0.29 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.85 1q80 h MET 26 Cb 0.63 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1q80 h MET 26 CO -0.08 0.23 -0.01 0.38 1.06 0.00 0.00 176.91 178.49 1q80 h ASP 27 N 0.36 0.65 -0.10 1.22 3.04 -1.86 -0.96 116.42 118.78 1q80 h ASP 27 Ca 0.27 -0.31 -0.01 0.00 -3.24 0.00 0.00 57.03 53.73 1q80 h ASP 27 Cb 0.31 -0.18 -0.00 0.00 -1.04 0.00 0.00 39.33 38.42 1q80 h ASP 27 CO -0.28 0.81 0.02 -0.26 -2.04 0.00 0.00 179.24 177.48 1q80 h PHE 28 N 0.48 0.17 -0.74 4.15 -1.00 -1.57 0.18 116.94 118.62 1q80 h PHE 28 Ca 0.11 -0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.80 1q80 h PHE 28 Cb 0.47 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.96 1q80 h PHE 28 CO 0.04 0.36 0.22 0.93 -1.61 0.00 0.00 178.31 178.25 1q80 h GLU 29 N -0.07 1.16 -0.31 1.51 5.08 -1.35 -1.60 114.58 118.99 1q80 h GLU 29 Ca 0.03 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1q80 h GLU 29 Cb 0.28 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1q80 h GLU 29 CO 0.00 0.99 0.05 0.77 -1.00 0.00 0.00 179.01 179.82 1q80 h SER 30 N 1.10 0.50 -0.20 1.42 0.02 -1.14 -2.55 113.55 112.71 1q80 h SER 30 Ca 0.24 -0.26 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1q80 h SER 30 Cb 0.32 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1q80 h SER 30 CO -0.01 0.64 0.02 -0.03 -1.14 0.00 0.00 176.83 176.32 1q80 h MET 31 N 0.35 0.09 0.31 3.45 1.85 -0.54 -0.14 114.93 120.30 1q80 h MET 31 Ca 0.09 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.18 1q80 h MET 31 Cb 0.35 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.34 1q80 h MET 31 CO 0.01 0.06 -0.31 0.00 -0.40 0.00 0.00 176.91 176.27 1q80 h ALA 32 N 1.15 -0.66 -0.72 0.39 0.00 -1.30 0.14 119.26 118.27 1q80 h ALA 32 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1q80 h ALA 32 Cb 0.10 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1q80 h ALA 32 CO -0.13 -0.90 0.45 1.49 0.00 0.00 0.00 179.25 180.16 1q80 h GLU 33 N -0.65 0.96 -0.36 0.00 4.22 -1.41 -0.93 114.58 116.42 1q80 h GLU 33 Ca -0.02 -0.07 -0.16 0.00 0.08 0.00 0.00 59.36 59.19 1q80 h GLU 33 Cb 0.59 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1q80 h GLU 33 CO -0.06 0.66 -0.42 0.00 -2.18 0.00 0.00 179.01 177.01 1q80 h ARG 34 N 0.97 0.91 0.00 1.92 2.47 -0.99 -2.41 114.38 117.25 1q80 h ARG 34 Ca 0.26 -0.51 -0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1q80 h ARG 34 Cb -0.07 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1q80 h ARG 34 CO -0.05 1.16 -0.00 0.35 0.56 0.00 0.00 179.97 181.98 1q80 h PHE 35 N 0.72 -0.00 -0.10 3.04 3.04 -0.57 -1.87 116.94 121.20 1q80 h PHE 35 Ca 0.05 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 1q80 h PHE 35 Cb 1.02 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.52 1q80 h PHE 35 CO 0.07 0.14 -0.05 0.00 -2.02 0.00 0.00 178.31 176.45 1q80 h ALA 36 N 0.86 1.73 0.09 2.41 0.00 -1.22 -3.20 119.26 119.94 1q80 h ALA 36 Ca -0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 1q80 h ALA 36 Cb 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1q80 h ALA 36 CO 0.00 0.20 -1.79 -0.22 0.00 0.00 0.00 179.25 177.44 1q80 h LYS 37 N 0.15 0.20 0.00 0.00 3.64 -1.40 -3.41 116.57 115.74 1q80 h LYS 37 Ca 0.04 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1q80 h LYS 37 Cb 0.18 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1q80 h LYS 37 CO 0.01 1.16 -0.21 0.39 -2.27 0.00 0.00 179.45 178.53 1q80 n GLU 38 N -3.75 0.14 -4.25 1.90 4.71 -0.71 -4.94 120.64 113.75 1q80 n GLU 38 Ca -0.32 0.08 -0.24 0.00 -0.01 0.00 0.00 57.16 56.68 1q80 n GLU 38 Cb 0.95 -1.63 -0.08 0.00 -1.01 0.00 0.00 31.44 29.68 1q80 n GLU 38 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1q80 s SER 39 N -3.70 4.39 0.56 1.62 0.15 -1.21 -5.08 113.70 110.44 1q80 s SER 39 Ca 0.11 -0.88 -0.19 0.00 0.70 0.00 0.00 55.95 55.69 1q80 s SER 39 Cb 0.16 -0.63 -0.05 0.00 -1.71 0.00 0.00 66.02 63.78 1q80 s SER 39 CO 0.62 -0.23 1.16 -0.70 1.20 0.00 0.00 173.24 175.29 1q80 s GLU 40 N -3.76 3.19 0.34 5.44 -6.30 -1.26 -4.92 118.70 111.44 1q80 s GLU 40 Ca 0.35 1.69 -0.05 0.00 -2.50 0.00 0.00 54.97 54.46 1q80 s GLU 40 Cb -0.02 -1.97 0.01 0.00 0.00 0.00 0.00 34.13 32.15 1q80 s GLU 40 CO 0.21 -1.00 0.52 -1.64 0.02 0.00 0.00 175.26 173.37 1q80 s MET 41 N -3.32 1.92 -0.90 4.30 -1.94 -1.26 -4.90 119.30 113.19 1q80 s MET 41 Ca 0.74 -1.67 -0.05 0.00 -1.71 0.00 0.00 55.69 53.00 1q80 s MET 41 Cb -0.26 0.47 0.23 0.00 2.01 0.00 0.00 34.83 37.27 1q80 s MET 41 CO 0.30 -0.81 0.82 0.21 -0.01 0.00 0.00 175.02 175.52 1q80 s LYS 42 N -3.04 3.46 0.00 2.03 2.20 -1.11 -4.57 119.74 118.71 1q80 s LYS 42 Ca 0.28 -3.05 0.00 0.00 -0.36 0.00 0.00 55.97 52.84 1q80 s LYS 42 Cb -0.01 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 32.17 1q80 s LYS 42 CO 0.18 -1.25 0.00 0.00 -0.36 0.00 0.00 175.35 173.92 1q80 n ALA 43 N 2.81 0.00 0.12 3.13 0.00 -1.26 -1.27 120.51 124.04 1q80 n ALA 43 Ca 0.19 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.79 1q80 n ALA 43 Cb 0.39 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.54 1q80 n ALA 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1q80 h GLU 44 N 0.00 0.00 -0.80 0.00 4.22 -1.98 -3.32 114.58 112.70 1q80 h GLU 44 Ca 0.00 0.00 0.23 0.00 0.08 0.00 0.00 59.36 59.67 1q80 h GLU 44 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1q80 h GLU 44 CO 0.00 0.00 0.84 1.25 -2.18 0.00 0.00 179.01 178.92 1q80 h HIS 45 N 0.00 0.00 -0.81 0.92 2.76 -1.53 -2.89 115.15 113.60 1q80 h HIS 45 Ca 0.15 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.42 1q80 h HIS 45 Cb 0.61 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.49 1q80 h HIS 45 CO 0.00 0.00 0.45 0.00 -1.30 0.00 0.00 177.93 177.08 1q80 h ALA 46 N 1.08 1.16 -0.30 5.26 0.00 -1.85 -1.58 119.26 123.03 1q80 h ALA 46 Ca 0.38 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 1q80 h ALA 46 Cb 2.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1q80 h ALA 46 CO -0.00 0.06 0.03 -0.22 0.00 0.00 0.00 179.25 179.11 1q80 h LYS 47 N 0.74 0.51 -0.29 0.00 3.64 -1.84 -1.54 116.57 117.80 1q80 h LYS 47 Ca 0.40 -0.15 0.07 0.00 -1.27 0.00 0.00 60.65 59.69 1q80 h LYS 47 Cb 0.40 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 1q80 h LYS 47 CO -0.26 0.63 -0.15 0.28 -2.27 0.00 0.00 179.45 177.68 1q80 h VAL 48 N 0.32 0.55 -0.86 2.00 2.07 -1.65 0.13 116.25 118.81 1q80 h VAL 48 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1q80 h VAL 48 Cb 0.38 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1q80 h VAL 48 CO 0.01 0.00 0.48 0.25 0.02 0.00 0.00 177.57 178.33 1q80 h LEU 49 N -0.11 1.06 -0.12 2.57 6.46 -1.32 -1.28 115.31 122.58 1q80 h LEU 49 Ca 0.15 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1q80 h LEU 49 Cb 0.34 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1q80 h LEU 49 CO -0.36 0.85 -0.03 -0.03 -0.62 0.00 0.00 178.44 178.24 1q80 h MET 50 N 1.19 0.24 -0.37 1.25 4.05 -0.62 -1.28 114.93 119.38 1q80 h MET 50 Ca 0.30 -0.09 0.02 0.00 -0.28 0.00 0.00 59.70 59.65 1q80 h MET 50 Cb 0.01 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 1q80 h MET 50 CO -0.05 0.54 0.21 -0.44 0.23 0.00 0.00 176.91 177.40 1q80 h ASP 51 N -0.07 0.34 0.94 1.39 3.32 -0.77 -1.52 116.42 120.04 1q80 h ASP 51 Ca 0.03 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1q80 h ASP 51 Cb 0.45 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.94 1q80 h ASP 51 CO 0.01 0.25 -0.45 0.28 -1.72 0.00 0.00 179.24 177.61 1q80 h SER 52 N 0.43 -1.06 -0.90 6.45 0.02 -1.25 -1.02 113.55 116.22 1q80 h SER 52 Ca 0.15 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1q80 h SER 52 Cb 0.02 0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1q80 h SER 52 CO -0.08 -0.72 0.60 -0.07 -1.14 0.00 0.00 176.83 175.42 1q80 h LEU 53 N -1.34 1.04 -0.12 5.07 3.38 -1.27 -1.94 115.31 120.13 1q80 h LEU 53 Ca -0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1q80 h LEU 53 Cb 0.96 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1q80 h LEU 53 CO 0.21 0.75 0.05 0.71 0.09 0.00 0.00 178.44 180.26 1q80 h THR 54 N 1.22 1.15 -0.95 0.22 1.35 -1.32 -2.36 112.91 112.22 1q80 h THR 54 Ca 0.33 -0.43 0.12 0.00 -0.55 0.00 0.00 66.41 65.88 1q80 h THR 54 Cb -0.14 1.21 -0.08 0.00 -1.73 0.00 0.00 68.15 67.42 1q80 h THR 54 CO -0.07 0.13 0.61 1.23 -0.25 0.00 0.00 175.52 177.17 1q80 h GLY 55 N 0.04 1.46 1.24 5.82 0.00 -0.65 -1.82 103.07 109.16 1q80 h GLY 55 Ca 0.04 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 1q80 h GLY 55 CO -0.00 0.15 -0.39 -2.08 0.00 0.00 0.00 176.54 174.21 1q80 h VAL 56 N 0.89 1.28 0.45 4.60 2.07 -1.37 0.23 116.25 124.40 1q80 h VAL 56 Ca 0.47 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1q80 h VAL 56 Cb 0.54 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1q80 h VAL 56 CO -0.23 0.52 -0.21 -0.25 0.02 0.00 0.00 177.57 177.41 1q80 h TRP 57 N 0.68 -0.55 -0.82 1.57 2.91 -1.22 -2.78 115.95 115.73 1q80 h TRP 57 Ca 0.06 -0.01 0.20 0.00 1.13 0.00 0.00 58.89 60.26 1q80 h TRP 57 Cb 0.96 0.18 -0.12 0.00 -0.51 0.00 0.00 29.16 29.67 1q80 h TRP 57 CO 0.06 -0.34 0.24 -0.44 -1.03 0.00 0.00 178.44 176.92 1q80 h ASP 58 N -1.15 0.07 0.18 2.65 3.32 -1.31 -2.19 116.42 117.99 1q80 h ASP 58 Ca -0.06 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1q80 h ASP 58 Cb 0.46 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1q80 h ASP 58 CO 0.10 -0.07 -1.61 0.59 -1.72 0.00 0.00 179.24 176.53 1q80 n ASN 59 N -5.16 0.32 0.02 6.45 3.02 0.06 -4.67 115.26 115.30 1q80 n ASN 59 Ca 0.18 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1q80 n ASN 59 Cb 0.58 1.52 0.00 0.00 -0.61 0.00 0.00 39.78 41.26 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 -2.17 -0.08 0.23 3.10 3.72 -1.07 -4.84 117.46 116.36 1q80 n PHE 60 Ca -0.02 0.01 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 1q80 n PHE 60 Cb 0.52 0.06 0.54 0.00 -0.94 0.00 0.00 39.48 39.66 1q80 n PHE 60 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1q80 h LEU 61 N 0.00 0.00 -1.60 4.37 3.38 -1.46 -3.15 115.31 116.85 1q80 h LEU 61 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1q80 h LEU 61 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1q80 h LEU 61 CO 0.00 0.16 0.51 0.74 0.09 0.00 0.00 178.44 179.94 1q80 h THR 62 N 0.00 0.77 0.00 0.22 2.02 -1.67 -2.82 112.91 111.44 1q80 h THR 62 Ca -0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1q80 h THR 62 Cb 0.29 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1q80 h THR 62 CO 0.02 0.07 0.00 0.00 0.37 0.00 0.00 175.52 175.98 1q80 n ALA 63 N -2.53 1.73 0.12 6.16 0.00 -1.19 -1.16 120.51 123.64 1q80 n ALA 63 Ca 0.15 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.42 1q80 n ALA 63 Cb 0.56 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 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 0.57 -0.14 0.00 2.07 -1.72 -3.38 116.25 113.64 1q80 h VAL 64 Ca 0.00 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 1q80 h VAL 64 Cb 0.18 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1q80 h VAL 64 CO 0.00 0.13 -0.48 0.00 0.02 0.00 0.00 177.57 177.24 1q80 n ALA 65 N -2.59 3.94 -3.56 1.67 0.00 -1.26 -5.01 120.51 113.69 1q80 n ALA 65 Ca -0.08 -3.35 -0.22 0.00 0.00 0.00 0.00 53.44 49.79 1q80 n ALA 65 Cb 0.26 -0.40 0.08 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.07 -0.45 0.05 0.00 0.00 -1.16 -3.93 105.19 98.63 1q80 n GLY 66 Ca 0.24 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.62 2.88 0.00 -0.02 0.00 -0.31 -5.03 105.19 101.10 1q80 n GLY 67 Ca -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1q80 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q80 n LYS 68 N 0.00 1.21 -1.59 1.61 4.01 -1.25 -4.82 118.16 117.33 1q80 n LYS 68 Ca 0.00 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.37 1q80 n LYS 68 Cb 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.49 1q80 n LYS 68 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1q80 n GLY 69 N 1.67 0.98 3.41 0.72 0.00 -1.26 -4.66 105.19 106.06 1q80 n GLY 69 Ca 0.00 0.79 -0.42 0.00 0.00 0.00 0.00 46.02 46.39 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 8.33 4.88 0.98 -0.61 1.01 -0.94 -4.87 121.20 129.97 1q80 s ILE 70 Ca 1.02 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 60.72 1q80 s ILE 70 Cb -0.37 -3.73 0.22 0.00 0.01 0.00 0.00 42.46 38.59 1q80 s ILE 70 CO 0.36 -0.28 1.33 1.51 0.00 0.00 0.00 174.94 177.86 1q80 s ASP 71 N 1.63 2.94 0.20 3.58 -4.77 -1.26 -0.56 116.67 118.43 1q80 s ASP 71 Ca 0.03 0.15 -0.11 0.00 -3.30 0.00 0.00 52.55 49.32 1q80 s ASP 71 Cb -0.19 -0.13 0.15 0.00 -1.09 0.00 0.00 42.92 41.66 1q80 s ASP 71 CO 0.08 -2.83 1.86 -0.08 0.70 0.00 0.00 175.17 174.90 1q80 h GLU 72 N -1.69 0.98 0.38 2.11 4.81 -2.00 -0.31 114.58 118.86 1q80 h GLU 72 Ca -0.44 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 1q80 h GLU 72 Cb 1.22 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1q80 h GLU 72 CO 0.33 0.66 -0.18 1.15 -0.73 0.00 0.00 179.01 180.25 1q80 h THR 73 N 1.00 0.63 -0.70 0.32 2.02 -1.96 -1.47 112.91 112.75 1q80 h THR 73 Ca 0.27 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.36 1q80 h THR 73 Cb -0.08 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1q80 h THR 73 CO -0.05 0.01 0.30 0.71 0.37 0.00 0.00 175.52 176.86 1q80 h THR 74 N -0.53 1.24 0.11 3.16 1.35 -1.92 0.15 112.91 116.47 1q80 h THR 74 Ca -0.05 -0.73 -0.01 0.00 -0.55 0.00 0.00 66.41 65.08 1q80 h THR 74 Cb 0.41 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1q80 h THR 74 CO 0.08 0.29 -0.05 0.15 -0.25 0.00 0.00 175.52 175.75 1q80 h PHE 75 N 0.99 -0.14 0.07 4.73 3.57 -1.05 -0.62 116.94 124.48 1q80 h PHE 75 Ca 0.24 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1q80 h PHE 75 Cb 0.18 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1q80 h PHE 75 CO 0.01 0.08 -0.03 0.82 -2.23 0.00 0.00 178.31 176.96 1q80 h ILE 76 N -0.34 1.07 -0.74 1.41 2.04 -1.22 -1.54 117.51 118.19 1q80 h ILE 76 Ca -0.02 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1q80 h ILE 76 Cb 0.28 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1q80 h ILE 76 CO 0.03 0.11 0.26 0.78 0.00 0.00 0.00 178.15 179.33 1q80 h ASN 77 N -0.28 1.04 0.03 1.72 2.35 -0.78 -0.60 115.58 119.06 1q80 h ASN 77 Ca -0.01 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1q80 h ASN 77 Cb 0.25 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1q80 h ASN 77 CO 0.01 0.94 -0.01 0.28 -1.65 0.00 0.00 177.43 177.00 1q80 h SER 78 N 1.08 -0.03 -0.51 5.81 0.02 -1.12 -3.18 113.55 115.63 1q80 h SER 78 Ca 0.24 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1q80 h SER 78 Cb 0.25 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1q80 h SER 78 CO -0.01 0.29 0.24 0.24 -1.14 0.00 0.00 176.83 176.45 1q80 h MET 79 N -0.35 0.73 -0.74 3.45 2.86 -1.28 -2.50 114.93 117.10 1q80 h MET 79 Ca -0.00 -0.11 0.17 0.00 -2.06 0.00 0.00 59.70 57.70 1q80 h MET 79 Cb 0.33 -0.13 -0.12 0.00 0.06 0.00 0.00 31.60 31.73 1q80 h MET 79 CO 0.01 0.61 0.05 -0.22 1.06 0.00 0.00 176.91 178.41 1q80 h LYS 80 N 0.67 0.14 0.11 1.72 3.64 -1.15 0.79 116.57 122.49 1q80 h LYS 80 Ca 0.17 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 1q80 h LYS 80 Cb 0.12 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1q80 h LYS 80 CO -0.02 0.09 -0.66 0.93 -2.27 0.00 0.00 179.45 177.52 1q80 h GLU 81 N 0.14 0.24 -0.80 1.90 3.07 -1.59 -3.35 114.58 114.19 1q80 h GLU 81 Ca 0.41 -0.41 0.04 0.00 -0.50 0.00 0.00 59.36 58.89 1q80 h GLU 81 Cb 0.72 0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.74 1q80 h GLU 81 CO -0.62 1.20 0.53 0.52 -1.40 0.00 0.00 179.01 179.24 1q80 h MET 82 N -0.49 0.96 0.00 2.33 2.86 -1.17 -2.59 114.93 116.83 1q80 h MET 82 Ca -0.12 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1q80 h MET 82 Cb 1.52 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1q80 h MET 82 CO 0.12 0.63 0.00 1.33 1.06 0.00 0.00 176.91 180.06 1q80 n VAL 83 N -4.45 0.82 -0.05 -2.22 0.24 0.25 -3.27 118.33 109.66 1q80 n VAL 83 Ca 0.10 0.23 -0.16 0.00 -2.04 0.00 0.00 64.34 62.47 1q80 n VAL 83 Cb 0.12 -1.16 -0.06 0.00 -1.47 0.00 0.00 33.84 31.27 1q80 n VAL 83 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1q80 h LYS 84 N 0.00 0.81 -5.80 7.34 1.57 -1.59 -3.43 116.57 115.47 1q80 h LYS 84 Ca 0.00 -0.59 -0.60 0.00 -1.87 0.00 0.00 60.65 57.59 1q80 h LYS 84 Cb 0.37 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 32.68 1q80 h LYS 84 CO 0.00 1.21 0.44 1.21 -0.57 0.00 0.00 179.45 181.74 1q80 s ASN 85 N -7.00 6.72 0.63 0.86 3.84 -1.20 -4.98 114.94 113.81 1q80 s ASN 85 Ca -0.11 0.79 0.41 0.00 0.21 0.00 0.00 52.86 54.16 1q80 s ASN 85 Cb 0.09 -2.42 2.11 0.00 -0.55 0.00 0.00 41.25 40.48 1q80 s ASN 85 CO 0.89 -0.60 2.26 1.55 -2.79 0.00 0.00 177.10 178.42 1q80 h PRO 86 N 7.99 0.00 -0.18 0.43 0.13 -1.84 -3.21 132.00 135.32 1q80 h PRO 86 Ca -0.24 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.69 1q80 h PRO 86 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1q80 h PRO 86 CO 0.89 0.01 -0.69 0.93 -0.23 0.00 0.00 178.00 178.90 1q80 h GLU 87 N 0.00 0.74 0.00 0.86 5.08 -1.94 -3.35 114.58 115.98 1q80 h GLU 87 Ca -0.00 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1q80 h GLU 87 Cb 0.14 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1q80 h GLU 87 CO 0.00 1.17 -0.09 0.00 -1.00 0.00 0.00 179.01 179.09 1q80 h ALA 88 N 0.68 0.95 -0.81 3.43 0.00 -1.81 -3.39 119.26 118.31 1q80 h ALA 88 Ca -0.03 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.08 1q80 h ALA 88 Cb 1.30 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1q80 h ALA 88 CO 0.14 0.00 0.56 0.87 0.00 0.00 0.00 179.25 180.82 1q80 h LYS 89 N 0.00 0.22 0.00 0.00 1.57 -1.70 -2.60 116.57 114.06 1q80 h LYS 89 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1q80 h LYS 89 Cb 0.96 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1q80 h LYS 89 CO 0.00 0.15 0.00 0.77 -0.57 0.00 0.00 179.45 179.80 1q80 h SER 90 N 0.23 0.00 -0.15 0.86 0.02 -1.85 -1.79 113.55 110.87 1q80 h SER 90 Ca 0.40 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.26 1q80 h SER 90 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1q80 h SER 90 CO -0.09 0.00 -0.21 -0.37 -1.14 0.00 0.00 176.83 175.02 1q80 h VAL 91 N 0.00 1.26 0.13 2.27 -1.51 -1.80 -1.42 116.25 115.18 1q80 h VAL 91 Ca 0.00 -1.24 -0.28 0.00 -1.23 0.00 0.00 66.70 63.96 1q80 h VAL 91 Cb 0.04 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1q80 h VAL 91 CO 0.00 0.40 -1.25 1.62 -1.23 0.00 0.00 177.57 177.11 1q80 h VAL 92 N 0.52 1.49 -0.41 7.19 3.04 -1.55 -3.36 116.25 123.16 1q80 h VAL 92 Ca 0.08 -3.06 -0.15 0.00 -1.01 0.00 0.00 66.70 62.56 1q80 h VAL 92 Cb 0.65 2.94 -0.01 0.00 -2.01 0.00 0.00 31.29 32.86 1q80 h VAL 92 CO 0.05 0.89 -0.33 -0.33 -1.01 0.00 0.00 177.57 176.84 1q80 h GLU 93 N 0.07 0.94 -0.99 4.17 5.08 -1.44 -3.40 114.58 119.01 1q80 h GLU 93 Ca -0.14 -0.46 0.36 0.00 -1.00 0.00 0.00 59.36 58.13 1q80 h GLU 93 Cb 1.97 -0.00 -0.18 0.00 0.50 0.00 0.00 28.75 31.04 1q80 h GLU 93 CO 0.20 1.12 0.34 0.41 -1.00 0.00 0.00 179.01 180.09 1q80 n GLY 94 N 0.04 -0.97 0.29 -3.84 0.00 -0.54 -1.80 105.19 98.37 1q80 n GLY 94 Ca -0.01 0.87 0.19 0.00 0.00 0.00 0.00 46.02 47.06 1q80 n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q80 h PRO 95 N 0.00 0.00 -0.69 1.61 0.13 -1.83 -3.38 132.00 127.84 1q80 h PRO 95 Ca 0.75 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 66.02 1q80 h PRO 95 Cb 1.87 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.87 1q80 h PRO 95 CO -0.83 0.00 -0.19 -0.07 -0.23 0.00 0.00 178.00 176.68 1q80 h LEU 96 N 0.00 -0.71 -0.94 1.56 3.38 -1.66 -1.35 115.31 115.59 1q80 h LEU 96 Ca 0.00 0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.23 1q80 h LEU 96 Cb 0.37 0.45 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 1q80 h LEU 96 CO 0.00 -0.24 0.61 -0.65 0.09 0.00 0.00 178.44 178.25 1q80 h PRO 97 N -0.02 1.10 -0.08 1.13 0.11 -1.84 -1.60 132.00 130.80 1q80 h PRO 97 Ca 0.33 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.21 1q80 h PRO 97 Cb 0.52 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1q80 h PRO 97 CO -0.72 0.73 -0.65 -0.07 -0.21 0.00 0.00 178.00 177.08 1q80 h LEU 98 N 1.14 0.37 -0.29 2.35 4.07 -1.77 -1.38 115.31 119.79 1q80 h LEU 98 Ca 0.39 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 1q80 h LEU 98 Cb 0.09 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1q80 h LEU 98 CO -0.15 0.92 0.16 -0.26 -1.08 0.00 0.00 178.44 178.03 1q80 h PHE 99 N 0.23 0.39 -0.06 1.13 0.04 -0.94 -0.90 116.94 116.83 1q80 h PHE 99 Ca -0.01 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.77 1q80 h PHE 99 Cb 1.18 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 39.18 1q80 h PHE 99 CO 0.03 0.32 -0.07 0.35 -0.60 0.00 0.00 178.31 178.34 1q80 h PHE 100 N 0.35 -0.17 -0.79 -0.55 3.57 -1.25 -1.62 116.94 116.49 1q80 h PHE 100 Ca 0.10 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.67 1q80 h PHE 100 Cb 0.06 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1q80 h PHE 100 CO -0.03 -0.11 0.52 -0.09 -2.23 0.00 0.00 178.31 176.36 1q80 h ARG 101 N -0.09 0.84 -0.20 1.11 9.65 -1.17 -0.74 114.38 123.77 1q80 h ARG 101 Ca 0.05 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1q80 h ARG 101 Cb 0.16 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 1q80 h ARG 101 CO -0.12 0.55 -0.06 0.00 2.80 0.00 0.00 179.97 183.15 1q80 h ALA 102 N 1.57 0.28 0.00 2.80 0.00 -0.96 -3.23 119.26 119.72 1q80 h ALA 102 Ca 0.34 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1q80 h ALA 102 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1q80 h ALA 102 CO -0.12 0.07 -0.35 0.28 0.00 0.00 0.00 179.25 179.13 1q80 h VAL 103 N 0.11 1.24 0.00 0.00 2.07 -1.00 -3.36 116.25 115.30 1q80 h VAL 103 Ca 0.05 -1.22 -0.23 0.00 0.82 0.00 0.00 66.70 66.12 1q80 h VAL 103 Cb 0.52 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1q80 h VAL 103 CO 0.02 0.35 1.45 -0.67 0.02 0.00 0.00 177.57 178.74 1q80 n ASP 104 N -4.10 3.50 -0.15 0.57 2.03 -0.31 -4.73 116.55 113.35 1q80 n ASP 104 Ca -0.02 -2.15 0.25 0.00 0.52 0.00 0.00 54.79 53.39 1q80 n ASP 104 Cb 0.39 -0.87 0.67 0.00 -0.72 0.00 0.00 41.12 40.59 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 3.13 0.62 0.00 5.18 1.03 -1.81 -1.82 112.91 119.23 1q80 h THR 105 Ca 0.29 -0.03 -0.06 0.00 -0.01 0.00 0.00 66.41 66.59 1q80 h THR 105 Cb 0.37 0.52 -0.01 0.00 -1.07 0.00 0.00 68.15 67.96 1q80 h THR 105 CO 0.97 0.02 -0.30 -0.55 -0.01 0.00 0.00 175.52 175.65 1q80 h ASN 106 N 0.09 0.00 -3.02 0.00 7.08 -1.85 -2.94 115.58 114.94 1q80 h ASN 106 Ca 0.40 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.53 1q80 h ASN 106 Cb 1.45 0.00 0.05 0.00 -2.08 0.00 0.00 38.32 37.73 1q80 h ASN 106 CO -0.04 0.30 -0.21 1.21 -2.08 0.00 0.00 177.43 176.61 1q80 n GLU 107 N -3.57 -1.83 0.00 4.14 4.07 -0.69 -4.90 120.64 117.87 1q80 n GLU 107 Ca -0.01 0.24 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 1q80 n GLU 107 Cb 0.44 -3.43 0.00 0.00 -0.06 0.00 0.00 31.44 28.39 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 -1.60 2.32 0.00 4.31 -0.08 -1.26 -5.06 116.55 115.18 1q80 n ASP 108 Ca -0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1q80 n ASP 108 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 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 -2.39 0.00 -4.46 1.67 3.02 -1.26 -5.12 115.26 106.72 1q80 n ASN 109 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 1q80 n ASN 109 Cb 0.38 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.41 1q80 n ASN 109 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1q80 s ASN 110 N -2.00 4.13 -0.25 6.41 6.03 -1.26 -3.82 114.94 124.18 1q80 s ASN 110 Ca 0.00 -0.21 0.02 0.00 -1.03 0.00 0.00 52.86 51.64 1q80 s ASN 110 Cb 0.00 -1.19 0.06 0.00 -3.03 0.00 0.00 41.25 37.09 1q80 s ASN 110 CO 0.00 0.28 -0.09 -0.63 -2.03 0.00 0.00 177.10 174.63 1q80 s ILE 111 N -0.33 1.93 0.78 0.54 1.01 -0.83 -4.90 121.20 119.41 1q80 s ILE 111 Ca 0.03 -1.48 -0.08 0.00 0.00 0.00 0.00 60.65 59.12 1q80 s ILE 111 Cb -0.13 -2.10 0.11 0.00 0.01 0.00 0.00 42.46 40.36 1q80 s ILE 111 CO 0.02 -0.05 1.11 -0.94 0.00 0.00 0.00 174.94 175.08 1q80 s SER 112 N 1.21 4.24 0.20 3.58 1.04 -1.26 -1.63 113.70 121.08 1q80 s SER 112 Ca -0.08 0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.51 1q80 s SER 112 Cb -0.20 -0.69 0.24 0.00 0.10 0.00 0.00 66.02 65.47 1q80 s SER 112 CO -0.05 -1.98 1.73 0.03 0.98 0.00 0.00 173.24 173.95 1q80 h ARG 113 N -0.90 0.33 -0.34 4.02 3.08 -2.01 -1.47 114.38 117.09 1q80 h ARG 113 Ca -0.43 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.48 1q80 h ARG 113 Cb 1.29 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1q80 h ARG 113 CO 0.51 0.22 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.91 1q80 h ASP 114 N 0.34 0.72 -0.36 7.04 3.32 -1.95 -1.18 116.42 124.34 1q80 h ASP 114 Ca 0.28 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1q80 h ASP 114 Cb 0.35 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1q80 h ASP 114 CO -0.31 0.96 0.07 -0.33 -1.72 0.00 0.00 179.24 177.91 1q80 h GLU 115 N 0.60 0.59 -0.79 3.56 5.08 -1.86 0.11 114.58 121.87 1q80 h GLU 115 Ca 0.08 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1q80 h GLU 115 Cb 0.78 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1q80 h GLU 115 CO 0.06 0.65 0.45 -0.92 -1.00 0.00 0.00 179.01 178.26 1q80 h TYR 116 N 0.43 1.05 -0.31 4.33 3.20 -1.27 -1.58 116.97 122.83 1q80 h TYR 116 Ca 0.11 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1q80 h TYR 116 Cb 0.34 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1q80 h TYR 116 CO 0.02 0.71 0.20 0.78 -1.64 0.00 0.00 178.16 178.23 1q80 h GLY 117 N 1.12 0.43 0.71 1.82 0.00 -0.87 -1.46 103.07 104.83 1q80 h GLY 117 Ca 0.28 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.50 1q80 h GLY 117 CO -0.05 0.16 0.39 -2.22 0.00 0.00 0.00 176.54 174.83 1q80 h ILE 118 N 0.41 0.99 -0.25 2.60 5.03 -0.51 -0.53 117.51 125.26 1q80 h ILE 118 Ca 0.11 -0.25 0.04 0.00 -0.12 0.00 0.00 64.86 64.64 1q80 h ILE 118 Cb -0.03 0.20 -0.04 0.00 -3.03 0.00 0.00 36.82 33.91 1q80 h ILE 118 CO -0.02 0.13 -0.01 0.15 -0.68 0.00 0.00 178.15 177.72 1q80 h PHE 119 N 0.73 -0.03 -0.29 1.37 3.57 -1.07 -1.24 116.94 119.99 1q80 h PHE 119 Ca 0.30 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.87 1q80 h PHE 119 Cb 0.16 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1q80 h PHE 119 CO -0.07 -0.05 0.01 0.74 -2.23 0.00 0.00 178.31 176.71 1q80 h PHE 120 N 0.06 0.01 -0.76 0.41 -1.00 -0.71 -1.96 116.94 112.99 1q80 h PHE 120 Ca 0.12 0.02 0.09 0.00 2.81 0.00 0.00 57.97 61.01 1q80 h PHE 120 Cb 0.16 0.04 -0.07 0.00 3.61 0.00 0.00 35.95 39.68 1q80 h PHE 120 CO -0.20 -0.03 0.41 0.78 -1.61 0.00 0.00 178.31 177.65 1q80 h GLY 121 N 0.10 1.16 1.08 -1.45 0.00 -0.82 -2.49 103.07 100.65 1q80 h GLY 121 Ca 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1q80 h GLY 121 CO -0.22 0.09 0.37 -0.33 0.00 0.00 0.00 176.54 176.45 1q80 h MET 122 N 0.68 1.18 0.00 4.80 2.86 -0.79 -2.75 114.93 120.91 1q80 h MET 122 Ca 0.37 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1q80 h MET 122 Cb 0.37 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1q80 h MET 122 CO -0.26 0.92 0.00 1.28 1.06 0.00 0.00 176.91 179.92 1q80 n LEU 123 N -4.30 0.12 -0.55 1.22 7.99 -0.78 -4.87 117.00 115.84 1q80 n LEU 123 Ca 0.08 0.55 0.00 0.00 -0.01 0.00 0.00 56.01 56.63 1q80 n LEU 123 Cb 0.15 -0.55 0.00 0.00 -0.11 0.00 0.00 43.42 42.91 1q80 n LEU 123 CO 0.40 -0.50 0.00 0.61 -1.51 0.00 0.00 177.39 176.39 1q80 n GLY 124 N -0.98 0.64 0.00 -0.72 0.00 -1.04 -4.95 105.19 98.15 1q80 n GLY 124 Ca 0.01 -0.37 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 -0.10 0.00 0.00 0.00 173.32 173.22 1q80 n LEU 125 N -0.55 0.00 -3.85 0.99 7.94 -0.96 -5.05 117.00 115.52 1q80 n LEU 125 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 1q80 n LEU 125 Cb 0.33 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.15 1q80 n LEU 125 CO 0.00 0.00 -0.26 -0.62 -1.11 0.00 0.00 177.39 175.40 1q80 s ASP 126 N 1.00 -0.06 0.36 1.96 2.15 -1.26 -4.83 116.67 115.98 1q80 s ASP 126 Ca 0.00 0.11 0.12 0.00 0.43 0.00 0.00 52.55 53.21 1q80 s ASP 126 Cb 0.00 0.18 0.93 0.00 -0.30 0.00 0.00 42.92 43.73 1q80 s ASP 126 CO 0.00 -0.07 1.79 0.07 -0.17 0.00 0.00 175.17 176.79 1q80 h LYS 127 N 5.79 0.55 -0.04 4.34 5.09 -1.87 -1.51 116.57 128.93 1q80 h LYS 127 Ca -0.26 -0.03 0.01 0.00 0.09 0.00 0.00 60.65 60.46 1q80 h LYS 127 Cb 1.20 -0.12 -0.00 0.00 0.10 0.00 0.00 32.23 33.41 1q80 h LYS 127 CO 0.45 0.37 0.04 1.79 -2.09 0.00 0.00 179.45 180.00 1q80 h THR 128 N 0.57 0.80 0.00 0.07 1.35 -1.96 -2.51 112.91 111.23 1q80 h THR 128 Ca 0.56 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.42 1q80 h THR 128 Cb 1.15 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1q80 h THR 128 CO -0.31 0.00 -0.02 -0.03 -0.25 0.00 0.00 175.52 174.90 1q80 h MET 129 N 0.00 0.00 -0.60 4.72 -1.53 -1.67 -3.38 114.93 112.48 1q80 h MET 129 Ca 0.02 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.28 1q80 h MET 129 Cb 0.09 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.11 1q80 h MET 129 CO -0.00 0.02 0.37 0.00 0.14 0.00 0.00 176.91 177.45 1q80 h ALA 130 N 1.98 0.76 -0.95 0.39 0.00 -1.55 -3.32 119.26 116.56 1q80 h ALA 130 Ca -0.00 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.09 1q80 h ALA 130 Cb 0.71 -0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 1q80 h ALA 130 CO 0.00 0.22 0.49 -1.00 0.00 0.00 0.00 179.25 178.96 1q80 h PRO 131 N 0.81 0.45 -0.71 0.00 0.13 -1.79 -1.33 132.00 129.57 1q80 h PRO 131 Ca 0.22 -0.03 0.07 0.00 -0.87 0.00 0.00 66.00 65.39 1q80 h PRO 131 Cb -0.05 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 30.92 1q80 h PRO 131 CO -0.04 0.30 0.39 0.00 -0.23 0.00 0.00 178.00 178.41 1q80 h ALA 132 N 1.73 0.97 0.14 -0.56 0.00 -1.88 -1.44 119.26 118.23 1q80 h ALA 132 Ca 0.61 0.03 -0.29 0.00 0.00 0.00 0.00 54.91 55.26 1q80 h ALA 132 Cb 1.17 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1q80 h ALA 132 CO -0.51 0.03 -1.32 0.77 0.00 0.00 0.00 179.25 178.22 1q80 h SER 133 N 0.69 0.47 -0.04 0.00 0.02 -1.64 -3.36 113.55 109.68 1q80 h SER 133 Ca 0.33 -0.52 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1q80 h SER 133 Cb 0.27 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1q80 h SER 133 CO -0.22 1.41 -0.04 0.15 -1.14 0.00 0.00 176.83 176.99 1q80 h PHE 134 N 0.08 -0.10 -0.63 3.45 3.04 -1.08 -3.12 116.94 118.59 1q80 h PHE 134 Ca -0.17 0.01 0.13 0.00 3.98 0.00 0.00 57.97 61.92 1q80 h PHE 134 Cb 2.00 0.05 -0.04 0.00 2.56 0.00 0.00 35.95 40.53 1q80 h PHE 134 CO 0.07 -0.07 0.43 -0.44 -2.02 0.00 0.00 178.31 176.28 1q80 h ASP 135 N -0.06 0.28 0.40 0.41 5.19 -1.43 -0.82 116.42 120.40 1q80 h ASP 135 Ca 0.03 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.38 1q80 h ASP 135 Cb 0.10 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1q80 h ASP 135 CO -0.07 0.16 -0.32 0.00 -3.12 0.00 0.00 179.24 175.88 1q80 h ALA 136 N 1.69 1.36 0.02 3.45 0.00 -1.69 -3.26 119.26 120.83 1q80 h ALA 136 Ca 0.30 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1q80 h ALA 136 Cb 0.76 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1q80 h ALA 136 CO -0.07 0.40 -1.75 0.82 0.00 0.00 0.00 179.25 178.66 1q80 h ILE 137 N 0.00 0.82 -0.02 0.00 2.04 -1.33 -3.45 117.51 115.57 1q80 h ILE 137 Ca -0.00 -2.65 -0.58 0.00 1.00 0.00 0.00 64.86 62.63 1q80 h ILE 137 Cb 0.61 2.44 0.10 0.00 -0.74 0.00 0.00 36.82 39.23 1q80 h ILE 137 CO 0.04 0.56 1.67 -0.67 0.00 0.00 0.00 178.15 179.75 1q80 n ASP 138 N -3.13 1.69 -0.14 1.72 2.03 -0.42 -4.80 116.55 113.50 1q80 n ASP 138 Ca -0.19 -2.58 -0.06 0.00 0.52 0.00 0.00 54.79 52.48 1q80 n ASP 138 Cb 1.05 -0.84 0.03 0.00 -0.72 0.00 0.00 41.12 40.64 1q80 n ASP 138 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1q80 h THR 139 N 4.91 0.98 0.00 5.18 2.02 -1.86 -2.73 112.91 121.41 1q80 h THR 139 Ca 0.31 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1q80 h THR 139 Cb 0.71 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1q80 h THR 139 CO 1.94 0.08 0.00 -0.55 0.37 0.00 0.00 175.52 177.36 1q80 h ASN 140 N 0.45 0.00 -0.47 4.18 -1.07 -1.91 -3.48 115.58 113.29 1q80 h ASN 140 Ca 0.19 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.36 1q80 h ASN 140 Cb 0.09 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 36.26 1q80 h ASN 140 CO -0.13 0.00 -0.18 0.59 0.07 0.00 0.00 177.43 177.78 1q80 n ASN 141 N -2.96 -4.21 -0.62 6.14 5.03 -1.03 -4.96 115.26 112.64 1q80 n ASN 141 Ca 0.02 0.24 0.12 0.00 0.87 0.00 0.00 54.58 55.83 1q80 n ASN 141 Cb 0.37 -2.57 0.39 0.00 -1.02 0.00 0.00 39.78 36.94 1q80 n ASN 141 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1q80 n ASP 142 N 0.37 1.91 0.00 6.41 8.00 -1.26 -4.96 116.55 127.01 1q80 n ASP 142 Ca -0.10 -1.68 0.00 0.00 0.71 0.00 0.00 54.79 53.72 1q80 n ASP 142 Cb 0.33 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 1.21 0.52 2.86 0.44 0.00 -1.26 -5.09 105.19 103.86 1q80 n GLY 143 Ca 0.17 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 1.86 -0.35 0.99 1.98 -1.26 -3.92 118.68 117.98 1q80 s LEU 144 Ca 0.00 0.01 -0.07 0.00 -2.89 0.00 0.00 54.13 51.17 1q80 s LEU 144 Cb 0.00 -0.01 0.04 0.00 0.66 0.00 0.00 46.19 46.87 1q80 s LEU 144 CO 0.00 -0.02 0.12 -0.76 -1.89 0.00 0.00 176.35 173.81 1q80 s LEU 145 N 0.16 4.40 0.80 -0.68 1.43 -0.64 -4.81 118.68 119.34 1q80 s LEU 145 Ca -0.01 -1.12 -0.07 0.00 -1.03 0.00 0.00 54.13 51.89 1q80 s LEU 145 Cb -0.02 -1.90 0.14 0.00 0.03 0.00 0.00 46.19 44.44 1q80 s LEU 145 CO -0.00 -0.34 1.11 -0.94 0.23 0.00 0.00 176.35 176.41 1q80 s SER 146 N 1.44 4.00 0.14 2.29 1.04 -1.26 -1.96 113.70 119.39 1q80 s SER 146 Ca -0.01 0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.25 1q80 s SER 146 Cb -0.19 -0.33 0.01 0.00 0.10 0.00 0.00 66.02 65.60 1q80 s SER 146 CO 0.03 -2.12 1.69 0.25 0.98 0.00 0.00 173.24 174.08 1q80 h LEU 147 N -0.93 -0.24 -0.57 2.42 7.12 -2.00 -2.61 115.31 118.50 1q80 h LEU 147 Ca -0.41 0.08 0.11 0.00 0.13 0.00 0.00 57.88 57.79 1q80 h LEU 147 Cb 1.26 0.16 -0.09 0.00 -0.53 0.00 0.00 40.66 41.47 1q80 h LEU 147 CO 0.43 -0.09 0.06 -0.08 -0.13 0.00 0.00 178.44 178.64 1q80 h GLU 148 N -0.00 0.18 -0.23 1.25 4.57 -1.95 -0.35 114.58 118.04 1q80 h GLU 148 Ca 0.12 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1q80 h GLU 148 Cb 0.19 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1q80 h GLU 148 CO -0.27 0.12 0.07 0.93 -1.18 0.00 0.00 179.01 178.68 1q80 h GLU 149 N 0.18 0.35 -0.39 1.92 3.07 -1.89 -1.56 114.58 116.27 1q80 h GLU 149 Ca 0.29 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.06 1q80 h GLU 149 Cb 0.45 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1q80 h GLU 149 CO -0.43 0.44 0.16 0.35 -1.40 0.00 0.00 179.01 178.12 1q80 h PHE 150 N 0.20 0.59 -0.29 4.33 3.04 -1.08 -1.40 116.94 122.33 1q80 h PHE 150 Ca 0.07 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1q80 h PHE 150 Cb 0.23 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1q80 h PHE 150 CO 0.00 0.52 0.12 -0.39 -2.02 0.00 0.00 178.31 176.54 1q80 h VAL 151 N 0.48 1.18 0.64 1.41 -1.51 -1.07 -1.04 116.25 116.34 1q80 h VAL 151 Ca 0.13 -0.55 -0.03 0.00 -1.23 0.00 0.00 66.70 65.02 1q80 h VAL 151 Cb 0.19 1.00 0.01 0.00 -2.13 0.00 0.00 31.29 30.35 1q80 h VAL 151 CO -0.01 0.19 -0.31 0.40 -1.23 0.00 0.00 177.57 176.61 1q80 h ILE 152 N 0.32 0.32 -0.78 7.19 2.04 -1.28 -1.58 117.51 123.74 1q80 h ILE 152 Ca 0.10 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1q80 h ILE 152 Cb 0.19 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 1q80 h ILE 152 CO -0.01 0.02 0.52 0.00 0.00 0.00 0.00 178.15 178.68 1q80 h ALA 153 N -0.67 1.44 -0.22 1.87 0.00 -1.33 -1.53 119.26 118.81 1q80 h ALA 153 Ca -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1q80 h ALA 153 Cb 0.69 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1q80 h ALA 153 CO 0.14 0.52 0.06 0.78 0.00 0.00 0.00 179.25 180.75 1q80 h GLY 154 N 1.06 0.38 0.53 0.00 0.00 -1.17 -1.57 103.07 102.30 1q80 h GLY 154 Ca 0.29 -0.24 0.06 0.00 0.00 0.00 0.00 47.33 47.44 1q80 h GLY 154 CO -0.06 0.22 0.12 1.76 0.00 0.00 0.00 176.54 178.58 1q80 h SER 155 N 0.19 0.08 -0.31 0.19 0.02 -1.09 -2.60 113.55 110.02 1q80 h SER 155 Ca 0.07 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1q80 h SER 155 Cb 0.26 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1q80 h SER 155 CO -0.00 0.08 0.20 -0.78 -1.14 0.00 0.00 176.83 175.19 1q80 h ASP 156 N 0.27 0.37 -0.43 3.07 1.82 -1.22 0.60 116.42 120.90 1q80 h ASP 156 Ca 0.21 -0.03 0.09 0.00 -0.39 0.00 0.00 57.03 56.90 1q80 h ASP 156 Cb 0.23 -0.09 -0.08 0.00 0.68 0.00 0.00 39.33 40.07 1q80 h ASP 156 CO -0.24 0.29 -0.07 0.15 -1.61 0.00 0.00 179.24 177.75 1q80 h PHE 157 N 0.41 -0.16 -0.00 0.28 3.04 -1.05 -0.39 116.94 119.07 1q80 h PHE 157 Ca 0.11 0.04 -0.10 0.00 3.98 0.00 0.00 57.97 62.00 1q80 h PHE 157 Cb -0.02 0.14 0.01 0.00 2.56 0.00 0.00 35.95 38.64 1q80 h PHE 157 CO -0.05 -0.16 -0.38 0.74 -2.02 0.00 0.00 178.31 176.44 1q80 h PHE 158 N 0.03 0.39 -0.00 0.41 0.04 -1.37 -3.38 116.94 113.06 1q80 h PHE 158 Ca 0.21 -0.21 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 1q80 h PHE 158 Cb 0.32 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 1q80 h PHE 158 CO -0.35 1.02 -0.81 0.00 -0.60 0.00 0.00 178.31 177.58 1q80 h MET 159 N -0.35 0.09 -6.04 1.51 -0.00 -0.88 -3.44 114.93 105.82 1q80 h MET 159 Ca -0.05 -0.09 -0.59 0.00 -0.00 0.00 0.00 59.70 58.97 1q80 h MET 159 Cb 1.12 0.03 -0.08 0.00 -0.00 0.00 0.00 31.60 32.67 1q80 h MET 159 CO 0.08 0.84 0.64 1.21 -0.00 0.00 0.00 176.91 179.68 1q80 s ASN 160 N -6.85 6.84 -0.40 -0.10 3.84 -0.16 -4.97 114.94 113.14 1q80 s ASN 160 Ca -0.02 0.93 0.05 0.00 0.21 0.00 0.00 52.86 54.04 1q80 s ASN 160 Cb 0.11 -2.48 0.61 0.00 -0.55 0.00 0.00 41.25 38.94 1q80 s ASN 160 CO 0.80 -0.73 1.76 0.47 -2.79 0.00 0.00 177.10 176.62 1q80 n ASP 161 N 6.49 3.38 0.00 -4.21 8.00 -1.26 -4.85 116.55 124.10 1q80 n ASP 161 Ca 0.08 -3.68 0.00 0.00 0.71 0.00 0.00 54.79 51.90 1q80 n ASP 161 Cb 0.47 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 1q80 n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q80 n GLY 162 N -1.14 3.37 3.05 0.44 0.00 -1.26 -4.89 105.19 104.76 1q80 n GLY 162 Ca 0.51 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 1.00 2.26 0.35 1.61 -1.08 -1.26 -4.89 116.67 114.65 1q80 s ASP 163 Ca 0.00 -0.39 -0.14 0.00 -0.52 0.00 0.00 52.55 51.50 1q80 s ASP 163 Cb 0.00 -1.01 0.03 0.00 -1.46 0.00 0.00 42.92 40.48 1q80 s ASP 163 CO 0.00 0.02 0.70 -0.55 0.52 0.00 0.00 175.17 175.86 1q80 s SER 164 N 0.89 0.09 0.33 -0.34 0.15 -1.26 -5.07 113.70 108.48 1q80 s SER 164 Ca -0.09 -1.07 0.17 0.00 0.70 0.00 0.00 55.95 55.65 1q80 s SER 164 Cb -0.15 0.78 0.44 0.00 -1.71 0.00 0.00 66.02 65.37 1q80 s SER 164 CO 0.00 -1.52 1.62 0.00 1.20 0.00 0.00 173.24 174.55 1q80 h THR 165 N 2.04 0.96 0.00 6.45 1.03 -2.00 -3.29 112.91 118.10 1q80 h THR 165 Ca -0.28 -1.87 0.00 0.00 -0.01 0.00 0.00 66.41 64.24 1q80 h THR 165 Cb 1.25 2.14 0.00 0.00 -1.07 0.00 0.00 68.15 70.47 1q80 h THR 165 CO 0.36 0.46 0.00 -0.46 -0.01 0.00 0.00 175.52 175.87 1q80 n ASN 166 N -3.45 0.02 0.00 0.00 6.94 -1.26 -3.98 115.26 113.53 1q80 n ASN 166 Ca 0.00 0.50 0.04 0.00 -0.02 0.00 0.00 54.58 55.10 1q80 n ASN 166 Cb 0.61 -0.51 0.22 0.00 -2.36 0.00 0.00 39.78 37.73 1q80 n ASN 166 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1q80 n LYS 167 N -1.52 0.19 -0.18 -3.83 2.85 -1.24 -2.25 118.16 112.19 1q80 n LYS 167 Ca 0.05 0.09 0.09 0.00 -1.05 0.00 0.00 58.31 57.49 1q80 n LYS 167 Cb 0.24 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.29 1q80 n LYS 167 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1q80 n VAL 168 N -1.11 1.99 0.18 0.58 0.31 -1.26 -4.80 118.33 114.21 1q80 n VAL 168 Ca 0.05 -2.14 0.05 0.00 -0.01 0.00 0.00 64.34 62.29 1q80 n VAL 168 Cb 0.04 -0.23 0.25 0.00 -0.91 0.00 0.00 33.84 32.99 1q80 n VAL 168 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1q80 h PHE 169 N 0.52 0.00 -1.08 3.52 3.57 -1.73 -2.01 116.94 119.73 1q80 h PHE 169 Ca 0.00 0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.92 1q80 h PHE 169 Cb 1.12 0.00 -0.42 0.00 2.79 0.00 0.00 35.95 39.44 1q80 h PHE 169 CO 0.14 0.00 -0.66 0.91 -2.23 0.00 0.00 178.31 176.47 1q80 n TRP 170 N -2.00 3.03 -0.13 0.41 7.02 -1.26 -5.03 117.44 119.47 1q80 n TRP 170 Ca -0.01 -2.59 0.02 0.00 -1.02 0.00 0.00 57.50 53.90 1q80 n TRP 170 Cb 0.48 -0.32 -0.00 0.00 -2.42 0.00 0.00 31.31 29.04 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 -0.63 -1.52 3.67 6.99 0.00 -0.76 -4.85 105.19 108.10 1q80 n GLY 171 Ca 0.43 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.39 4.19 0.56 1.61 0.04 -1.26 -4.79 135.00 133.95 1q80 s PRO 172 Ca 0.00 2.26 -0.20 0.00 0.04 0.00 0.00 61.00 63.10 1q80 s PRO 172 Cb 0.00 -3.89 -0.05 0.00 0.04 0.00 0.00 34.50 30.61 1q80 s PRO 172 CO 0.00 -0.82 1.22 -0.48 0.04 0.00 0.00 177.00 176.97 1q80 s LEU 173 N 3.65 3.77 0.00 -3.56 0.05 -1.26 -5.06 118.68 116.27 1q80 s LEU 173 Ca 0.75 2.44 0.08 0.00 0.05 0.00 0.00 54.13 57.44 1q80 s LEU 173 Cb -0.36 -4.47 0.49 0.00 -2.05 0.00 0.00 46.19 39.80 1q80 s LEU 173 CO 0.31 -1.45 0.94 1.33 -0.55 0.00 0.00 176.35 176.94