#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 -1.61 -0.92 6.43 3.32 -2.02 -1.49 116.42 120.12 1q80 h ASP 2 Ca 0.00 0.18 0.06 0.00 0.02 0.00 0.00 57.03 57.29 1q80 h ASP 2 Cb 0.00 0.62 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 1q80 h ASP 2 CO 0.00 -0.51 0.60 -0.07 -1.72 0.00 0.00 179.24 177.54 1q80 h LEU 3 N -0.65 0.95 0.61 1.55 3.38 -1.96 0.58 115.31 119.77 1q80 h LEU 3 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1q80 h LEU 3 Cb 0.71 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1q80 h LEU 3 CO -0.36 0.62 -0.29 -0.25 0.09 0.00 0.00 178.44 178.25 1q80 h TRP 4 N 1.09 -0.75 -0.35 1.13 7.01 -1.81 -1.25 115.95 121.01 1q80 h TRP 4 Ca 0.39 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.37 1q80 h TRP 4 Cb 0.14 0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 1q80 h TRP 4 CO -0.00 -0.44 0.23 -0.24 -2.79 0.00 0.00 178.44 175.20 1q80 h VAL 5 N -1.16 1.10 -0.73 2.65 3.04 -1.25 -2.68 116.25 117.21 1q80 h VAL 5 Ca -0.08 -0.19 -0.04 0.00 -1.01 0.00 0.00 66.70 65.38 1q80 h VAL 5 Cb 0.65 0.59 -0.03 0.00 -2.01 0.00 0.00 31.29 30.49 1q80 h VAL 5 CO 0.14 0.09 0.32 1.56 -1.01 0.00 0.00 177.57 178.67 1q80 h GLN 6 N 0.47 1.08 0.41 4.17 4.20 -0.99 -1.48 115.11 122.96 1q80 h GLN 6 Ca 0.13 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1q80 h GLN 6 Cb -0.04 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.56 1q80 h GLN 6 CO -0.03 0.87 -0.19 0.87 -0.67 0.00 0.00 178.83 179.68 1q80 h LYS 7 N 1.04 -0.52 -0.46 1.46 1.57 -1.05 0.56 116.57 119.16 1q80 h LYS 7 Ca 0.25 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1q80 h LYS 7 Cb 0.18 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1q80 h LYS 7 CO -0.02 -0.31 0.28 0.52 -0.57 0.00 0.00 179.45 179.34 1q80 h MET 8 N -0.62 0.54 -0.60 3.15 2.86 -1.50 -1.73 114.93 117.03 1q80 h MET 8 Ca -0.06 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1q80 h MET 8 Cb 0.46 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1q80 h MET 8 CO 0.09 0.36 0.25 -0.22 1.06 0.00 0.00 176.91 178.45 1q80 h LYS 9 N 0.55 0.86 0.34 1.72 1.63 -1.30 -1.40 116.57 118.97 1q80 h LYS 9 Ca 0.18 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1q80 h LYS 9 Cb 0.01 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 1q80 h LYS 9 CO -0.08 0.69 -0.44 1.15 -3.45 0.00 0.00 179.45 177.33 1q80 h THR 10 N 0.85 0.13 -0.66 1.00 2.02 -0.34 -0.87 112.91 115.04 1q80 h THR 10 Ca 0.20 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.44 1q80 h THR 10 Cb 0.15 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.63 1q80 h THR 10 CO -0.02 0.00 0.37 0.22 0.37 0.00 0.00 175.52 176.46 1q80 h TYR 11 N -0.82 0.67 0.75 3.16 3.20 -1.22 -0.14 116.97 122.57 1q80 h TYR 11 Ca -0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1q80 h TYR 11 Cb 0.75 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1q80 h TYR 11 CO -0.28 0.32 -0.41 0.35 -1.64 0.00 0.00 178.16 176.51 1q80 h PHE 12 N 0.68 -1.06 -0.92 -3.82 3.57 -1.11 0.05 116.94 114.33 1q80 h PHE 12 Ca 0.30 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.85 1q80 h PHE 12 Cb 0.18 0.37 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 1q80 h PHE 12 CO -0.08 -0.63 0.59 -0.97 -2.23 0.00 0.00 178.31 174.99 1q80 h ASN 13 N -1.06 0.90 -0.01 0.41 -0.73 -1.04 -1.79 115.58 112.25 1q80 h ASN 13 Ca -0.10 0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.00 1q80 h ASN 13 Cb 0.84 -0.18 0.01 0.00 0.27 0.00 0.00 38.32 39.25 1q80 h ASN 13 CO 0.13 0.57 -0.32 0.03 -0.37 0.00 0.00 177.43 177.47 1q80 h ARG 14 N 1.02 0.23 0.00 6.67 2.47 -1.00 -3.33 114.38 120.44 1q80 h ARG 14 Ca 0.40 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1q80 h ARG 14 Cb 0.24 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1q80 h ARG 14 CO -0.16 0.95 0.00 1.51 0.56 0.00 0.00 179.97 182.83 1q80 n ILE 15 N -4.45 0.72 -1.07 2.04 0.13 0.00 -4.46 119.36 112.28 1q80 n ILE 15 Ca -0.10 0.08 -0.37 0.00 -1.10 0.00 0.00 62.75 61.26 1q80 n ILE 15 Cb 0.53 -0.93 -0.04 0.00 -0.84 0.00 0.00 39.64 38.36 1q80 n ILE 15 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1q80 n ASP 16 N -2.08 3.34 -0.21 9.51 2.03 -0.68 -4.81 116.55 123.65 1q80 n ASP 16 Ca 0.04 -2.58 -0.00 0.00 0.52 0.00 0.00 54.79 52.76 1q80 n ASP 16 Cb 0.28 -1.14 0.11 0.00 -0.72 0.00 0.00 41.12 39.65 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 7.30 0.49 0.00 -0.67 3.57 -1.88 -2.93 116.94 122.82 1q80 h PHE 17 Ca 0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.98 1q80 h PHE 17 Cb 0.52 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1q80 h PHE 17 CO 1.47 0.16 0.00 0.22 -2.23 0.00 0.00 178.31 177.93 1q80 h ASP 18 N 0.49 0.00 -0.29 0.41 1.82 -1.87 -3.49 116.42 113.49 1q80 h ASP 18 Ca 0.31 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.82 1q80 h ASP 18 Cb 0.34 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.30 1q80 h ASP 18 CO -0.27 0.00 -0.11 0.29 -1.61 0.00 0.00 179.24 177.53 1q80 n LYS 19 N -3.09 -1.10 0.01 0.28 4.01 -1.11 -4.95 118.16 112.21 1q80 n LYS 19 Ca 0.01 0.62 0.12 0.00 -0.51 0.00 0.00 58.31 58.54 1q80 n LYS 19 Cb 0.30 -4.62 0.51 0.00 -0.51 0.00 0.00 35.03 30.72 1q80 n LYS 19 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1q80 n ASP 20 N -0.40 0.07 0.00 4.39 5.75 -1.26 -4.92 116.55 120.17 1q80 n ASP 20 Ca -0.06 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.23 1q80 n ASP 20 Cb 0.37 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 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 1.01 0.95 3.12 6.12 0.00 -1.26 -5.11 105.19 110.02 1q80 n GLY 21 Ca 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.64 -0.47 4.61 0.00 -1.26 -3.50 121.76 118.50 1q80 s ALA 22 Ca 0.00 0.88 -0.27 0.00 0.00 0.00 0.00 51.96 52.57 1q80 s ALA 22 Cb 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1q80 s ALA 22 CO 0.00 -0.16 0.99 0.42 0.00 0.00 0.00 175.76 177.01 1q80 s ILE 23 N 0.62 4.39 0.41 0.00 -1.09 -0.21 -4.74 121.20 120.58 1q80 s ILE 23 Ca -0.04 0.89 0.04 0.00 -2.23 0.00 0.00 60.65 59.30 1q80 s ILE 23 Cb -0.05 -4.49 -0.05 0.00 -1.58 0.00 0.00 42.46 36.29 1q80 s ILE 23 CO -0.04 -0.90 0.05 0.42 -1.23 0.00 0.00 174.94 173.25 1q80 s THR 24 N 3.98 1.25 0.31 2.92 -4.23 -1.26 -0.94 115.64 117.67 1q80 s THR 24 Ca 0.40 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.95 1q80 s THR 24 Cb -0.09 -2.58 0.30 0.00 1.34 0.00 0.00 72.50 71.46 1q80 s THR 24 CO 0.28 0.00 1.85 -0.09 -0.54 0.00 0.00 174.62 176.12 1q80 h ARG 25 N 1.76 0.86 -0.83 3.99 2.43 -1.91 -2.78 114.38 117.89 1q80 h ARG 25 Ca -0.41 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 58.79 1q80 h ARG 25 Cb 1.27 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.57 1q80 h ARG 25 CO 0.71 0.57 0.54 0.52 -1.51 0.00 0.00 179.97 180.80 1q80 h MET 26 N 0.89 0.80 -0.05 0.20 2.86 -1.98 -1.69 114.93 115.96 1q80 h MET 26 Ca 0.47 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 58.07 1q80 h MET 26 Cb 0.55 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1q80 h MET 26 CO -0.24 0.53 -0.01 0.22 1.06 0.00 0.00 176.91 178.48 1q80 h ASP 27 N 0.83 -0.04 -0.06 1.22 1.82 -1.88 0.72 116.42 119.03 1q80 h ASP 27 Ca 0.38 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 57.02 1q80 h ASP 27 Cb 0.37 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.41 1q80 h ASP 27 CO -0.15 -0.01 -0.02 -0.26 -1.61 0.00 0.00 179.24 177.19 1q80 h PHE 28 N 0.00 0.14 -0.69 0.28 -1.00 -1.58 0.14 116.94 114.23 1q80 h PHE 28 Ca 0.02 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1q80 h PHE 28 Cb 0.03 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 1q80 h PHE 28 CO -0.11 0.46 0.35 0.93 -1.61 0.00 0.00 178.31 178.33 1q80 h GLU 29 N -0.23 0.98 -0.17 1.51 5.08 -1.36 -1.55 114.58 118.84 1q80 h GLU 29 Ca 0.02 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1q80 h GLU 29 Cb 0.42 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1q80 h GLU 29 CO 0.01 0.76 0.06 0.77 -1.00 0.00 0.00 179.01 179.61 1q80 h SER 30 N 0.95 0.25 -0.61 1.42 0.02 -0.88 -2.66 113.55 112.04 1q80 h SER 30 Ca 0.24 -0.19 0.10 0.00 -0.84 0.00 0.00 61.79 61.10 1q80 h SER 30 Cb 0.09 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.49 1q80 h SER 30 CO -0.03 0.37 0.20 0.24 -1.14 0.00 0.00 176.83 176.46 1q80 h MET 31 N 0.11 0.35 0.27 3.45 2.86 -0.81 0.38 114.93 121.54 1q80 h MET 31 Ca 0.06 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1q80 h MET 31 Cb 0.20 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1q80 h MET 31 CO -0.00 0.23 -0.18 0.00 1.06 0.00 0.00 176.91 178.01 1q80 h ALA 32 N 1.44 -0.43 -0.12 6.32 0.00 -1.16 0.63 119.26 125.94 1q80 h ALA 32 Ca 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1q80 h ALA 32 Cb 0.42 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1q80 h ALA 32 CO -0.34 -0.75 0.02 1.49 0.00 0.00 0.00 179.25 179.67 1q80 h GLU 33 N -0.44 0.19 -0.44 0.00 4.22 -1.34 -1.25 114.58 115.52 1q80 h GLU 33 Ca -0.02 -0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.40 1q80 h GLU 33 Cb 0.38 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1q80 h GLU 33 CO 0.01 0.38 0.22 0.00 -2.18 0.00 0.00 179.01 177.45 1q80 h ARG 34 N -0.03 0.43 0.12 1.92 -0.00 -0.94 -1.94 114.38 113.94 1q80 h ARG 34 Ca 0.04 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.48 1q80 h ARG 34 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.15 1q80 h ARG 34 CO 0.00 0.28 -0.06 0.35 0.00 0.00 0.00 179.97 180.55 1q80 h PHE 35 N 0.44 -0.15 -0.40 3.04 3.57 -0.90 -2.52 116.94 120.02 1q80 h PHE 35 Ca 0.19 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.77 1q80 h PHE 35 Cb 0.10 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.81 1q80 h PHE 35 CO -0.10 0.05 -0.12 0.00 -2.23 0.00 0.00 178.31 175.91 1q80 h ALA 36 N 0.52 0.24 0.15 2.41 0.00 -1.07 -2.36 119.26 119.14 1q80 h ALA 36 Ca -0.02 0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.73 1q80 h ALA 36 Cb 0.27 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1q80 h ALA 36 CO 0.03 -0.47 -1.59 -0.22 0.00 0.00 0.00 179.25 176.99 1q80 h LYS 37 N -0.03 0.31 0.00 0.00 3.11 -1.45 -3.38 116.57 115.14 1q80 h LYS 37 Ca 0.20 -0.54 -0.04 0.00 -2.81 0.00 0.00 60.65 57.45 1q80 h LYS 37 Cb 0.32 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 1q80 h LYS 37 CO -0.43 1.26 -0.26 0.93 -2.81 0.00 0.00 179.45 178.14 1q80 h GLU 38 N -0.10 0.00 -1.75 1.90 3.07 -1.54 -3.38 114.58 112.78 1q80 h GLU 38 Ca -0.33 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 57.94 1q80 h GLU 38 Cb 1.93 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 29.42 1q80 h GLU 38 CO 0.11 0.20 -0.70 0.43 -1.40 0.00 0.00 179.01 177.65 1q80 n SER 39 N -3.13 4.64 0.00 1.42 7.64 -0.89 -5.08 113.62 118.22 1q80 n SER 39 Ca 0.03 -3.71 0.00 0.00 1.01 0.00 0.00 58.87 56.20 1q80 n SER 39 Cb 0.62 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1q80 n SER 39 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1q80 n GLU 40 N -0.41 0.00 -4.04 1.43 -0.58 -1.26 -4.91 120.64 110.87 1q80 n GLU 40 Ca 0.37 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 57.00 1q80 n GLU 40 Cb 0.58 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.40 1q80 n GLU 40 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1q80 s MET 41 N 0.00 1.64 0.13 3.49 -1.94 -1.26 -4.87 119.30 116.49 1q80 s MET 41 Ca 0.00 -1.44 -0.30 0.00 -1.71 0.00 0.00 55.69 52.24 1q80 s MET 41 Cb 0.00 0.45 -0.07 0.00 2.01 0.00 0.00 34.83 37.22 1q80 s MET 41 CO 0.00 -0.67 1.21 0.21 -0.01 0.00 0.00 175.02 175.76 1q80 s LYS 42 N -3.70 4.46 0.00 2.03 2.20 0.00 -4.49 119.74 120.24 1q80 s LYS 42 Ca 0.26 1.85 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 1q80 s LYS 42 Cb 0.00 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1q80 s LYS 42 CO 0.12 -0.18 0.09 0.00 -0.36 0.00 0.00 175.35 175.02 1q80 n ALA 43 N 3.19 0.00 0.34 3.13 0.00 -1.26 -0.75 120.51 125.15 1q80 n ALA 43 Ca 0.07 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.71 1q80 n ALA 43 Cb 0.45 0.01 1.08 0.00 0.00 0.00 0.00 19.45 21.00 1q80 n ALA 43 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1q80 h GLU 44 N 0.00 0.00 0.00 0.00 4.11 -2.04 -3.48 114.58 113.17 1q80 h GLU 44 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1q80 h GLU 44 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1q80 h GLU 44 CO 0.00 0.00 0.91 1.58 0.07 0.00 0.00 179.01 181.57 1q80 n HIS 45 N -3.02 0.00 -0.23 2.06 -0.00 0.07 -4.54 115.22 109.55 1q80 n HIS 45 Ca -0.03 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.16 1q80 n HIS 45 Cb 0.18 0.00 0.13 0.00 -0.12 0.00 0.00 29.99 30.18 1q80 n HIS 45 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1q80 h ALA 46 N 0.00 0.93 -0.18 1.57 0.00 -1.94 0.39 119.26 120.03 1q80 h ALA 46 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1q80 h ALA 46 Cb 1.82 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1q80 h ALA 46 CO 0.00 -0.08 0.05 -0.22 0.00 0.00 0.00 179.25 179.00 1q80 h LYS 47 N 0.56 0.29 -0.47 0.00 3.11 -1.97 -2.77 116.57 115.32 1q80 h LYS 47 Ca 0.34 -0.07 0.07 0.00 -2.81 0.00 0.00 60.65 58.18 1q80 h LYS 47 Cb 0.36 -0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 31.50 1q80 h LYS 47 CO -0.27 0.43 0.14 0.28 -2.81 0.00 0.00 179.45 177.21 1q80 h VAL 48 N 0.11 0.80 -0.03 2.00 2.07 -1.78 -0.12 116.25 119.31 1q80 h VAL 48 Ca 0.06 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1q80 h VAL 48 Cb 0.26 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1q80 h VAL 48 CO 0.00 0.05 -0.06 0.25 0.02 0.00 0.00 177.57 177.84 1q80 h LEU 49 N 0.30 -0.18 -0.47 2.57 5.85 -0.95 -1.04 115.31 121.40 1q80 h LEU 49 Ca 0.23 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 1q80 h LEU 49 Cb 0.26 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1q80 h LEU 49 CO -0.26 -0.09 0.08 -0.03 -0.34 0.00 0.00 178.44 177.80 1q80 h MET 50 N -0.09 0.77 -0.08 1.25 4.05 -1.28 -1.46 114.93 118.09 1q80 h MET 50 Ca 0.04 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.25 1q80 h MET 50 Cb 0.14 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1q80 h MET 50 CO -0.08 0.78 0.04 -0.44 0.23 0.00 0.00 176.91 177.44 1q80 h ASP 51 N 0.64 0.11 0.88 1.39 3.32 -0.99 -1.20 116.42 120.57 1q80 h ASP 51 Ca 0.14 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1q80 h ASP 51 Cb 0.38 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.91 1q80 h ASP 51 CO 0.01 0.19 -0.42 -1.28 -1.72 0.00 0.00 179.24 176.02 1q80 h SER 52 N 0.02 -1.00 -0.86 6.45 0.87 -1.23 0.20 113.55 118.00 1q80 h SER 52 Ca 0.03 0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.73 1q80 h SER 52 Cb 0.11 0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.27 1q80 h SER 52 CO -0.00 -0.64 0.56 -0.07 -0.53 0.00 0.00 176.83 176.14 1q80 h LEU 53 N -1.32 0.72 -0.06 2.23 3.38 -1.31 0.68 115.31 119.63 1q80 h LEU 53 Ca -0.12 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1q80 h LEU 53 Cb 0.90 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1q80 h LEU 53 CO 0.20 0.41 -0.27 0.71 0.09 0.00 0.00 178.44 179.58 1q80 h THR 54 N 0.79 1.44 -0.96 0.22 1.35 -1.28 -3.20 112.91 111.27 1q80 h THR 54 Ca 0.40 -1.71 0.06 0.00 -0.55 0.00 0.00 66.41 64.61 1q80 h THR 54 Cb 0.49 2.38 -0.06 0.00 -1.73 0.00 0.00 68.15 69.23 1q80 h THR 54 CO -0.17 0.48 0.63 1.23 -0.25 0.00 0.00 175.52 177.44 1q80 h GLY 55 N -0.24 1.42 0.70 5.82 0.00 0.06 -1.67 103.07 109.16 1q80 h GLY 55 Ca -0.02 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.88 1q80 h GLY 55 CO 0.06 0.35 -0.10 -2.08 0.00 0.00 0.00 176.54 174.76 1q80 h VAL 56 N 1.14 0.74 0.65 4.60 2.07 -1.02 -0.00 116.25 124.42 1q80 h VAL 56 Ca 0.40 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.89 1q80 h VAL 56 Cb 0.13 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1q80 h VAL 56 CO -0.15 0.00 -0.31 -0.25 0.02 0.00 0.00 177.57 176.88 1q80 h TRP 57 N -0.16 -0.81 -0.77 1.57 2.91 -1.51 -2.57 115.95 114.61 1q80 h TRP 57 Ca 0.05 -0.02 0.18 0.00 1.13 0.00 0.00 58.89 60.23 1q80 h TRP 57 Cb 0.22 0.27 -0.12 0.00 -0.51 0.00 0.00 29.16 29.02 1q80 h TRP 57 CO -0.18 -0.50 0.17 -0.44 -1.03 0.00 0.00 178.44 176.45 1q80 h ASP 58 N -1.22 -0.04 0.29 2.65 3.32 -1.30 -1.26 116.42 118.86 1q80 h ASP 58 Ca -0.09 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1q80 h ASP 58 Cb 0.67 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1q80 h ASP 58 CO 0.15 -0.08 -1.71 0.59 -1.72 0.00 0.00 179.24 176.46 1q80 n ASN 59 N -5.20 0.25 0.00 6.45 3.02 -0.02 -4.66 115.26 115.10 1q80 n ASN 59 Ca 0.16 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1q80 n ASN 59 Cb 0.51 1.52 0.00 0.00 -0.61 0.00 0.00 39.78 41.20 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 -2.39 0.00 0.25 3.10 3.72 -1.00 -4.84 117.46 116.30 1q80 n PHE 60 Ca -0.03 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.45 1q80 n PHE 60 Cb 0.57 0.04 0.62 0.00 -0.94 0.00 0.00 39.48 39.77 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 -2.13 4.37 5.85 -1.41 -3.01 115.31 118.98 1q80 h LEU 61 Ca 0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1q80 h LEU 61 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1q80 h LEU 61 CO 0.00 0.09 0.24 0.74 -0.34 0.00 0.00 178.44 179.17 1q80 h THR 62 N 0.00 0.58 0.00 1.05 2.02 -1.49 -3.03 112.91 112.04 1q80 h THR 62 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1q80 h THR 62 Cb 0.17 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1q80 h THR 62 CO 0.01 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.90 1q80 n ALA 63 N -2.42 1.39 0.19 6.16 0.00 -1.14 -1.92 120.51 122.77 1q80 n ALA 63 Ca 0.03 -0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1q80 n ALA 63 Cb 0.39 -1.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 1q80 n ALA 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1q80 h VAL 64 N 0.00 0.00 -0.16 0.00 2.07 -1.78 -3.39 116.25 112.99 1q80 h VAL 64 Ca 0.00 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1q80 h VAL 64 Cb 0.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1q80 h VAL 64 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1q80 n ALA 65 N -2.69 2.50 -0.38 1.67 0.00 -1.25 -5.02 120.51 115.33 1q80 n ALA 65 Ca -0.07 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.33 1q80 n ALA 65 Cb 0.22 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.63 2.10 0.00 0.00 0.00 -0.81 -4.43 105.19 101.42 1q80 n GLY 66 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 0.70 3.83 -0.02 0.00 -1.19 -4.93 105.19 101.57 1q80 n GLY 67 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1q80 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q80 s LYS 68 N 0.00 3.98 1.37 1.61 3.01 -1.26 -4.88 119.74 123.57 1q80 s LYS 68 Ca 0.00 1.08 -0.22 0.00 -1.01 0.00 0.00 55.97 55.82 1q80 s LYS 68 Cb 0.00 -2.14 0.34 0.00 -1.01 0.00 0.00 37.83 35.02 1q80 s LYS 68 CO 0.00 -0.24 0.77 0.41 0.51 0.00 0.00 175.35 176.79 1q80 n GLY 69 N -1.05 -3.53 3.22 -3.33 0.00 -1.26 -4.93 105.19 94.30 1q80 n GLY 69 Ca 0.07 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.08 3.21 0.90 -0.61 -1.09 -0.12 -4.89 121.20 116.52 1q80 s ILE 70 Ca 0.59 -1.17 -0.12 0.00 -2.23 0.00 0.00 60.65 57.72 1q80 s ILE 70 Cb -0.10 -2.77 0.13 0.00 -1.58 0.00 0.00 42.46 38.14 1q80 s ILE 70 CO 0.50 -0.02 1.14 1.51 -1.23 0.00 0.00 174.94 176.84 1q80 s ASP 71 N 1.32 3.64 0.35 3.58 1.47 -1.26 -1.04 116.67 124.74 1q80 s ASP 71 Ca -0.02 0.93 0.02 0.00 1.18 0.00 0.00 52.55 54.66 1q80 s ASP 71 Cb -0.19 -1.49 0.65 0.00 -0.34 0.00 0.00 42.92 41.55 1q80 s ASP 71 CO -0.01 -2.46 2.01 -0.08 0.68 0.00 0.00 175.17 175.31 1q80 h GLU 72 N -1.44 0.82 0.44 2.11 4.81 -1.99 -0.63 114.58 118.71 1q80 h GLU 72 Ca -0.50 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 1q80 h GLU 72 Cb 1.33 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1q80 h GLU 72 CO 0.62 0.54 -0.21 1.15 -0.73 0.00 0.00 179.01 180.38 1q80 h THR 73 N 0.85 0.56 -0.77 0.32 2.02 -1.94 -1.54 112.91 112.42 1q80 h THR 73 Ca 0.23 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1q80 h THR 73 Cb -0.09 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1q80 h THR 73 CO -0.05 0.01 0.49 0.71 0.37 0.00 0.00 175.52 177.05 1q80 h THR 74 N -0.62 1.21 0.01 3.16 1.35 -1.91 0.16 112.91 116.26 1q80 h THR 74 Ca -0.06 -0.42 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1q80 h THR 74 Cb 0.47 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1q80 h THR 74 CO 0.10 0.21 -0.00 0.15 -0.25 0.00 0.00 175.52 175.73 1q80 h PHE 75 N 1.05 -0.01 -0.11 4.73 3.57 -1.09 -1.03 116.94 124.06 1q80 h PHE 75 Ca 0.28 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1q80 h PHE 75 Cb -0.08 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 1q80 h PHE 75 CO -0.01 0.13 0.02 0.82 -2.23 0.00 0.00 178.31 177.04 1q80 h ILE 76 N -0.15 1.21 -0.56 1.41 5.03 -1.17 -1.42 117.51 121.86 1q80 h ILE 76 Ca -0.00 -0.66 -0.03 0.00 -0.12 0.00 0.00 64.86 64.05 1q80 h ILE 76 Cb 0.15 1.45 -0.03 0.00 -3.03 0.00 0.00 36.82 35.36 1q80 h ILE 76 CO 0.00 0.19 0.23 0.78 -0.68 0.00 0.00 178.15 178.67 1q80 h ASN 77 N -0.05 0.73 -0.01 1.72 2.35 -0.73 -1.09 115.58 118.50 1q80 h ASN 77 Ca 0.03 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1q80 h ASN 77 Cb 0.28 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1q80 h ASN 77 CO 0.00 0.65 -0.10 -1.28 -1.65 0.00 0.00 177.43 175.06 1q80 h SER 78 N 0.80 0.11 -0.22 5.81 0.87 -1.20 -3.38 113.55 116.34 1q80 h SER 78 Ca 0.19 -0.70 0.01 0.00 -1.23 0.00 0.00 61.79 60.06 1q80 h SER 78 Cb 0.14 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1q80 h SER 78 CO -0.02 0.79 0.11 0.24 -0.53 0.00 0.00 176.83 177.42 1q80 h MET 79 N -0.57 0.23 -0.97 2.24 2.86 -1.22 -3.10 114.93 114.40 1q80 h MET 79 Ca -0.01 -0.01 0.29 0.00 -2.06 0.00 0.00 59.70 57.91 1q80 h MET 79 Cb 0.80 -0.05 -0.15 0.00 0.06 0.00 0.00 31.60 32.26 1q80 h MET 79 CO 0.02 0.15 0.46 1.57 1.06 0.00 0.00 176.91 180.18 1q80 h LYS 80 N 0.24 0.29 0.00 1.72 2.10 -1.36 -1.85 116.57 117.70 1q80 h LYS 80 Ca 0.09 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1q80 h LYS 80 Cb 0.02 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 1q80 h LYS 80 CO -0.06 0.19 -0.01 0.93 -2.00 0.00 0.00 179.45 178.51 1q80 h GLU 81 N 0.30 0.00 -0.44 0.07 4.39 -1.74 -3.37 114.58 113.79 1q80 h GLU 81 Ca 0.68 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.35 1q80 h GLU 81 Cb 1.49 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.11 1q80 h GLU 81 CO -0.62 0.00 0.15 0.00 -1.16 0.00 0.00 179.01 177.38 1q80 h MET 82 N -0.99 0.64 -0.34 2.33 -0.00 -1.46 -2.77 114.93 112.35 1q80 h MET 82 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 59.70 59.60 1q80 h MET 82 Cb 0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.49 1q80 h MET 82 CO 0.00 0.55 0.00 1.33 -0.00 0.00 0.00 176.91 178.79 1q80 n VAL 83 N -4.34 0.45 -0.03 -0.10 0.24 -0.70 -4.23 118.33 109.61 1q80 n VAL 83 Ca 0.03 -0.45 -0.15 0.00 -2.04 0.00 0.00 64.34 61.74 1q80 n VAL 83 Cb 0.17 0.23 -0.10 0.00 -1.47 0.00 0.00 33.84 32.67 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 1.97 0.24 -6.69 7.34 1.57 -1.65 -3.46 116.57 115.88 1q80 h LYS 84 Ca 0.00 -0.20 -0.50 0.00 -1.87 0.00 0.00 60.65 58.08 1q80 h LYS 84 Cb 0.45 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1q80 h LYS 84 CO 0.00 0.85 0.27 -0.80 -0.57 0.00 0.00 179.45 179.20 1q80 s ASN 85 N -6.25 7.43 0.56 0.86 -0.87 -1.26 -5.00 114.94 110.42 1q80 s ASN 85 Ca -0.15 1.77 0.25 0.00 -1.57 0.00 0.00 52.86 53.16 1q80 s ASN 85 Cb 0.03 -2.55 1.60 0.00 -0.02 0.00 0.00 41.25 40.31 1q80 s ASN 85 CO 0.75 0.11 2.19 1.55 -2.57 0.00 0.00 177.10 179.13 1q80 h PRO 86 N 3.90 0.00 -4.00 -0.60 0.13 -1.92 -3.39 132.00 126.13 1q80 h PRO 86 Ca -0.46 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.90 1q80 h PRO 86 Cb 1.20 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 1q80 h PRO 86 CO 0.66 0.00 -0.10 -1.83 -0.23 0.00 0.00 178.00 176.50 1q80 s GLU 87 N -4.80 3.21 0.00 0.86 1.03 -1.26 -4.20 118.70 113.55 1q80 s GLU 87 Ca -0.05 -1.99 0.00 0.00 0.03 0.00 0.00 54.97 52.96 1q80 s GLU 87 Cb 0.16 -4.34 0.00 0.00 -0.80 0.00 0.00 34.13 29.15 1q80 s GLU 87 CO 0.60 -1.31 0.00 0.00 -1.33 0.00 0.00 175.26 173.21 1q80 n ALA 88 N 4.77 0.00 -0.13 -0.84 0.00 -1.26 -4.96 120.51 118.09 1q80 n ALA 88 Ca -0.04 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.68 1q80 n ALA 88 Cb 0.43 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.60 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 0.00 0.00 0.00 0.00 1.57 -1.74 -2.58 116.57 113.81 1q80 h LYS 89 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1q80 h LYS 89 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1q80 h LYS 89 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 179.45 179.65 1q80 h SER 90 N 0.00 0.00 0.28 0.86 0.02 -1.93 -1.81 113.55 110.98 1q80 h SER 90 Ca 0.39 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.24 1q80 h SER 90 Cb 1.67 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.20 1q80 h SER 90 CO -0.00 0.00 -0.42 -0.37 -1.14 0.00 0.00 176.83 174.90 1q80 h VAL 91 N 0.00 1.31 0.12 2.27 -1.51 -1.91 -1.46 116.25 115.08 1q80 h VAL 91 Ca 0.00 -1.51 -0.27 0.00 -1.23 0.00 0.00 66.70 63.69 1q80 h VAL 91 Cb 0.07 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1q80 h VAL 91 CO 0.00 0.45 -1.23 1.62 -1.23 0.00 0.00 177.57 177.18 1q80 h VAL 92 N 0.15 1.52 -0.34 7.19 3.04 -1.57 -3.35 116.25 122.88 1q80 h VAL 92 Ca 0.01 -3.09 -0.16 0.00 -1.01 0.00 0.00 66.70 62.45 1q80 h VAL 92 Cb 0.80 2.94 -0.00 0.00 -2.01 0.00 0.00 31.29 33.02 1q80 h VAL 92 CO 0.06 0.90 -0.42 -0.33 -1.01 0.00 0.00 177.57 176.77 1q80 h GLU 93 N 0.07 0.88 -1.00 4.17 5.08 -1.43 -3.40 114.58 118.95 1q80 h GLU 93 Ca -0.13 -0.50 0.25 0.00 -1.00 0.00 0.00 59.36 57.98 1q80 h GLU 93 Cb 1.96 0.03 -0.19 0.00 0.50 0.00 0.00 28.75 31.05 1q80 h GLU 93 CO 0.20 1.14 -0.08 0.41 -1.00 0.00 0.00 179.01 179.68 1q80 n GLY 94 N 0.22 -1.47 0.30 -3.84 0.00 -0.56 -1.63 105.19 98.21 1q80 n GLY 94 Ca -0.03 1.01 0.19 0.00 0.00 0.00 0.00 46.02 47.19 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 -0.21 1.61 0.13 -1.81 -3.36 132.00 128.35 1q80 h PRO 95 Ca 0.56 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.73 1q80 h PRO 95 Cb 1.06 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1q80 h PRO 95 CO -0.97 0.00 -0.03 1.25 -0.23 0.00 0.00 178.00 178.02 1q80 h LEU 96 N 0.00 -0.15 -1.75 1.56 7.12 -1.58 -1.38 115.31 119.13 1q80 h LEU 96 Ca 0.00 0.06 0.07 0.00 0.13 0.00 0.00 57.88 58.13 1q80 h LEU 96 Cb 0.35 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.57 1q80 h LEU 96 CO 0.00 -0.05 0.29 1.55 -0.13 0.00 0.00 178.44 180.11 1q80 h PRO 97 N 0.03 0.30 -0.27 5.25 0.13 -1.78 -1.75 132.00 133.90 1q80 h PRO 97 Ca 0.10 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 1q80 h PRO 97 Cb 0.14 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.20 1q80 h PRO 97 CO -0.20 0.20 -0.33 -0.07 -0.23 0.00 0.00 178.00 177.37 1q80 h LEU 98 N 0.31 0.76 -0.93 1.56 4.07 -1.74 -3.08 115.31 116.26 1q80 h LEU 98 Ca 0.19 -0.49 0.11 0.00 0.08 0.00 0.00 57.88 57.77 1q80 h LEU 98 Cb 0.37 -0.22 -0.08 0.00 1.08 0.00 0.00 40.66 41.82 1q80 h LEU 98 CO -0.04 1.10 0.57 -0.26 -1.08 0.00 0.00 178.44 178.72 1q80 h PHE 99 N 0.44 1.03 -0.20 1.13 -1.00 -0.48 -2.25 116.94 115.61 1q80 h PHE 99 Ca 0.04 0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.90 1q80 h PHE 99 Cb 0.91 -0.32 -0.06 0.00 3.61 0.00 0.00 35.95 40.09 1q80 h PHE 99 CO 0.08 0.41 -0.18 0.35 -1.61 0.00 0.00 178.31 177.35 1q80 h PHE 100 N 0.91 -0.47 -0.05 -0.55 3.57 -1.31 -1.61 116.94 117.43 1q80 h PHE 100 Ca 0.46 0.03 0.02 0.00 3.53 0.00 0.00 57.97 62.00 1q80 h PHE 100 Cb 0.44 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 1q80 h PHE 100 CO -0.03 -0.26 0.05 0.00 -2.23 0.00 0.00 178.31 175.85 1q80 h ARG 101 N -0.20 0.00 0.00 1.11 2.47 -1.35 -2.78 114.38 113.63 1q80 h ARG 101 Ca 0.12 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 1q80 h ARG 101 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1q80 h ARG 101 CO -0.32 0.00 -0.04 0.00 0.56 0.00 0.00 179.97 180.18 1q80 h ALA 102 N 1.94 0.00 0.00 0.04 0.00 -0.83 -3.36 119.26 117.06 1q80 h ALA 102 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1q80 h ALA 102 Cb 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1q80 h ALA 102 CO -0.00 -0.05 -0.01 0.28 0.00 0.00 0.00 179.25 179.47 1q80 h VAL 103 N -0.83 0.06 0.00 0.00 2.07 -1.21 -3.36 116.25 112.99 1q80 h VAL 103 Ca -0.01 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1q80 h VAL 103 Cb 0.89 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1q80 h VAL 103 CO 0.01 0.01 0.00 -0.67 0.02 0.00 0.00 177.57 176.94 1q80 n ASP 104 N -3.14 0.00 0.00 0.57 2.03 -1.06 -4.46 116.55 110.50 1q80 n ASP 104 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1q80 n ASP 104 Cb 0.22 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.63 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 -0.21 1.18 0.73 5.18 5.66 -1.26 -2.36 114.28 123.19 1q80 n THR 105 Ca 0.00 0.51 0.13 0.00 -3.05 0.00 0.00 64.05 61.64 1q80 n THR 105 Cb 0.00 -1.51 0.41 0.00 -1.55 0.00 0.00 70.33 67.68 1q80 n THR 105 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1q80 n ASN 106 N -1.32 0.59 -1.07 1.09 0.23 -1.26 -0.82 115.26 112.70 1q80 n ASN 106 Ca -0.00 0.43 -0.01 0.00 -0.53 0.00 0.00 54.58 54.47 1q80 n ASN 106 Cb 0.20 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.41 1q80 n ASN 106 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1q80 n GLU 107 N -2.01 -0.25 0.00 -3.83 2.13 -1.00 -4.82 120.64 110.86 1q80 n GLU 107 Ca 0.05 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1q80 n GLU 107 Cb 0.41 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.49 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 -0.96 0.00 0.00 4.31 -0.08 -1.26 -5.05 116.55 113.51 1q80 n ASP 108 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1q80 n ASP 108 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 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 -0.04 -1.60 -4.16 1.67 3.02 -1.26 -5.08 115.26 107.81 1q80 n ASN 109 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.38 1q80 n ASN 109 Cb 0.00 -0.27 -0.12 0.00 -0.61 0.00 0.00 39.78 38.79 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 -2.32 1.58 -0.26 6.41 0.01 -1.26 -4.68 114.94 114.42 1q80 s ASN 110 Ca 0.00 -0.64 -0.11 0.00 -0.71 0.00 0.00 52.86 51.40 1q80 s ASN 110 Cb 0.00 -0.04 -0.05 0.00 0.41 0.00 0.00 41.25 41.57 1q80 s ASN 110 CO 0.00 -0.11 0.17 -0.63 -1.51 0.00 0.00 177.10 175.02 1q80 s ILE 111 N -1.46 5.34 0.48 0.60 1.01 -0.37 -4.89 121.20 121.91 1q80 s ILE 111 Ca -0.01 0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.84 1q80 s ILE 111 Cb -0.09 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.88 1q80 s ILE 111 CO 0.02 0.30 0.68 -0.94 0.00 0.00 0.00 174.94 175.00 1q80 s SER 112 N 1.37 5.56 0.37 3.58 1.04 -1.26 -0.71 113.70 123.64 1q80 s SER 112 Ca 0.07 -0.02 0.13 0.00 0.48 0.00 0.00 55.95 56.62 1q80 s SER 112 Cb -0.15 -1.05 0.94 0.00 0.10 0.00 0.00 66.02 65.86 1q80 s SER 112 CO 0.07 -0.89 1.80 0.08 0.98 0.00 0.00 173.24 175.29 1q80 h ARG 113 N 0.34 0.54 -0.04 4.02 -0.00 -1.97 -1.54 114.38 115.72 1q80 h ARG 113 Ca -0.43 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 59.51 1q80 h ARG 113 Cb 1.28 -0.12 -0.00 0.00 -0.00 0.00 0.00 29.97 31.12 1q80 h ARG 113 CO 0.52 0.36 -0.00 -0.44 -0.00 0.00 0.00 179.97 180.41 1q80 h ASP 114 N 0.55 0.07 -0.65 0.08 3.32 -1.95 -1.13 116.42 116.71 1q80 h ASP 114 Ca 0.55 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 1q80 h ASP 114 Cb 1.14 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1q80 h ASP 114 CO -0.29 0.37 0.08 -0.33 -1.72 0.00 0.00 179.24 177.35 1q80 h GLU 115 N -0.23 1.09 -0.58 3.56 3.07 -1.86 0.28 114.58 119.92 1q80 h GLU 115 Ca 0.01 -0.31 -0.02 0.00 -0.50 0.00 0.00 59.36 58.54 1q80 h GLU 115 Cb 0.33 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 1q80 h GLU 115 CO 0.00 1.02 0.27 -0.92 -1.40 0.00 0.00 179.01 177.97 1q80 h TYR 116 N 1.01 0.84 -0.55 4.33 3.20 -1.34 0.70 116.97 125.15 1q80 h TYR 116 Ca 0.19 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 1q80 h TYR 116 Cb 0.47 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1q80 h TYR 116 CO 0.03 0.65 0.17 0.78 -1.64 0.00 0.00 178.16 178.16 1q80 h GLY 117 N 0.78 0.93 0.89 1.82 0.00 -1.01 -1.27 103.07 105.21 1q80 h GLY 117 Ca 0.20 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1q80 h GLY 117 CO -0.02 0.52 0.07 -2.22 0.00 0.00 0.00 176.54 174.88 1q80 h ILE 118 N 0.77 1.22 -0.07 2.60 5.03 -0.86 -0.29 117.51 125.91 1q80 h ILE 118 Ca 0.18 -0.74 0.02 0.00 -0.12 0.00 0.00 64.86 64.20 1q80 h ILE 118 Cb 0.29 1.14 -0.02 0.00 -3.03 0.00 0.00 36.82 35.20 1q80 h ILE 118 CO -0.00 0.24 -0.06 0.15 -0.68 0.00 0.00 178.15 177.80 1q80 h PHE 119 N 0.32 -0.14 -0.73 1.37 3.57 -0.84 -1.56 116.94 118.93 1q80 h PHE 119 Ca 0.09 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1q80 h PHE 119 Cb 0.30 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 1q80 h PHE 119 CO 0.02 -0.09 0.43 0.74 -2.23 0.00 0.00 178.31 177.18 1q80 h PHE 120 N -0.07 0.80 -0.63 0.41 -1.00 -1.18 -2.01 116.94 113.25 1q80 h PHE 120 Ca 0.05 0.03 0.10 0.00 2.81 0.00 0.00 57.97 60.96 1q80 h PHE 120 Cb 0.14 -0.25 -0.08 0.00 3.61 0.00 0.00 35.95 39.37 1q80 h PHE 120 CO -0.16 0.40 0.24 0.78 -1.61 0.00 0.00 178.31 177.95 1q80 h GLY 121 N 0.80 0.89 1.00 -1.45 0.00 -0.72 -2.57 103.07 101.02 1q80 h GLY 121 Ca 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1q80 h GLY 121 CO -0.17 -0.03 0.37 -0.33 0.00 0.00 0.00 176.54 176.38 1q80 h MET 122 N 0.41 0.88 0.00 4.80 2.86 -0.71 -2.85 114.93 120.32 1q80 h MET 122 Ca 0.32 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1q80 h MET 122 Cb 0.41 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1q80 h MET 122 CO -0.32 0.64 0.05 -0.07 1.06 0.00 0.00 176.91 178.27 1q80 h LEU 123 N 0.87 0.00 0.00 1.22 -0.00 -0.99 -3.46 115.31 112.95 1q80 h LEU 123 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1q80 h LEU 123 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1q80 h LEU 123 CO -0.04 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.01 1q80 n GLY 124 N -1.13 1.25 3.36 0.83 0.00 -1.08 -4.84 105.19 103.58 1q80 n GLY 124 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 2.33 0.28 0.99 1.02 -1.09 -5.05 118.68 117.16 1q80 s LEU 125 Ca 0.00 -1.19 -0.16 0.00 0.02 0.00 0.00 54.13 52.80 1q80 s LEU 125 Cb 0.00 -0.42 -0.09 0.00 0.02 0.00 0.00 46.19 45.70 1q80 s LEU 125 CO 0.00 -0.43 0.72 -0.62 0.02 0.00 0.00 176.35 176.04 1q80 s ASP 126 N -3.34 6.86 0.52 2.29 2.15 -1.26 -3.89 116.67 120.00 1q80 s ASP 126 Ca 0.28 1.30 0.30 0.00 0.43 0.00 0.00 52.55 54.86 1q80 s ASP 126 Cb 0.05 -2.38 1.43 0.00 -0.30 0.00 0.00 42.92 41.72 1q80 s ASP 126 CO 0.09 -0.11 1.86 0.11 -0.17 0.00 0.00 175.17 176.95 1q80 h LYS 127 N 2.71 0.07 -0.29 4.34 1.57 -1.94 -1.53 116.57 121.51 1q80 h LYS 127 Ca -0.48 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.38 1q80 h LYS 127 Cb 1.18 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1q80 h LYS 127 CO 0.65 0.05 0.30 0.00 -0.57 0.00 0.00 179.45 179.88 1q80 h THR 128 N 0.07 0.48 0.00 -0.16 1.03 -1.95 -2.56 112.91 109.83 1q80 h THR 128 Ca 0.48 0.00 -0.08 0.00 -0.01 0.00 0.00 66.41 66.79 1q80 h THR 128 Cb 1.78 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 69.61 1q80 h THR 128 CO -0.05 0.00 -0.40 -0.03 -0.01 0.00 0.00 175.52 175.04 1q80 h MET 129 N 0.00 0.00 -0.16 0.00 -1.53 -1.67 -3.37 114.93 108.19 1q80 h MET 129 Ca 0.14 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.38 1q80 h MET 129 Cb 0.73 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.77 1q80 h MET 129 CO -0.00 0.40 0.04 0.00 0.14 0.00 0.00 176.91 177.48 1q80 h ALA 130 N 1.60 0.21 -0.92 0.39 0.00 -1.64 -3.34 119.26 115.57 1q80 h ALA 130 Ca -0.00 -0.15 0.25 0.00 0.00 0.00 0.00 54.91 55.01 1q80 h ALA 130 Cb 0.90 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.49 1q80 h ALA 130 CO 0.05 -0.14 0.40 -1.35 0.00 0.00 0.00 179.25 178.21 1q80 h PRO 131 N 0.07 0.33 -0.50 0.00 0.11 -1.77 -1.16 132.00 129.08 1q80 h PRO 131 Ca 0.05 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.18 1q80 h PRO 131 Cb 0.27 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.26 1q80 h PRO 131 CO 0.00 0.22 0.26 0.00 -0.21 0.00 0.00 178.00 178.27 1q80 h ALA 132 N 1.76 0.64 0.14 -0.75 0.00 -1.83 -1.46 119.26 117.75 1q80 h ALA 132 Ca 0.60 0.02 -0.30 0.00 0.00 0.00 0.00 54.91 55.23 1q80 h ALA 132 Cb 1.22 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.96 1q80 h ALA 132 CO -0.58 -0.08 -1.24 0.77 0.00 0.00 0.00 179.25 178.12 1q80 h SER 133 N 0.51 0.85 -0.42 0.00 0.02 -1.63 -3.36 113.55 109.53 1q80 h SER 133 Ca 0.22 -0.84 0.05 0.00 -0.84 0.00 0.00 61.79 60.38 1q80 h SER 133 Cb 0.12 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 1q80 h SER 133 CO -0.15 1.61 0.15 0.15 -1.14 0.00 0.00 176.83 177.45 1q80 h PHE 134 N 0.22 0.27 -0.89 3.45 3.04 -1.17 -3.04 116.94 118.82 1q80 h PHE 134 Ca -0.19 0.02 0.15 0.00 3.98 0.00 0.00 57.97 61.93 1q80 h PHE 134 Cb 1.92 -0.06 -0.10 0.00 2.56 0.00 0.00 35.95 40.28 1q80 h PHE 134 CO 0.12 0.11 0.49 0.22 -2.02 0.00 0.00 178.31 177.23 1q80 h ASP 135 N 0.32 0.61 0.31 0.41 3.58 -1.42 -1.41 116.42 118.82 1q80 h ASP 135 Ca 0.19 0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.67 1q80 h ASP 135 Cb 0.17 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1q80 h ASP 135 CO -0.19 0.26 -0.28 0.00 -2.88 0.00 0.00 179.24 176.15 1q80 h ALA 136 N 1.57 1.49 0.10 -0.78 0.00 -1.67 -3.33 119.26 116.65 1q80 h ALA 136 Ca 0.49 -0.25 -0.35 0.00 0.00 0.00 0.00 54.91 54.79 1q80 h ALA 136 Cb 0.68 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1q80 h ALA 136 CO -0.36 0.35 -1.93 -0.89 0.00 0.00 0.00 179.25 176.42 1q80 n ILE 137 N -4.14 1.75 -1.11 0.00 5.41 -0.82 -4.80 119.36 115.64 1q80 n ILE 137 Ca -0.02 -0.69 -0.32 0.00 1.00 0.00 0.00 62.75 62.72 1q80 n ILE 137 Cb 0.33 -1.58 -0.11 0.00 -0.71 0.00 0.00 39.64 37.58 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 -3.38 1.48 -0.22 4.38 2.03 -0.60 -4.82 116.55 115.42 1q80 n ASP 138 Ca -0.28 -2.54 -0.07 0.00 0.52 0.00 0.00 54.79 52.43 1q80 n ASP 138 Cb 1.05 -1.14 0.04 0.00 -0.72 0.00 0.00 41.12 40.35 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 5.67 1.20 0.00 5.18 2.02 -1.89 -3.02 112.91 122.07 1q80 h THR 139 Ca 0.18 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1q80 h THR 139 Cb 0.83 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1q80 h THR 139 CO 1.58 0.21 0.00 -0.46 0.37 0.00 0.00 175.52 177.22 1q80 n ASN 140 N -4.56 0.76 -0.01 4.18 6.94 -1.26 -4.96 115.26 116.35 1q80 n ASN 140 Ca 0.04 0.64 -0.00 0.00 -0.02 0.00 0.00 54.58 55.25 1q80 n ASN 140 Cb 0.09 -0.82 -0.00 0.00 -2.36 0.00 0.00 39.78 36.68 1q80 n ASN 140 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1q80 n ASN 141 N -2.30 -4.75 -0.40 0.53 3.02 -1.14 -4.93 115.26 105.29 1q80 n ASN 141 Ca 0.03 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.71 1q80 n ASN 141 Cb 0.30 -2.26 0.52 0.00 -0.61 0.00 0.00 39.78 37.73 1q80 n ASN 141 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1q80 n ASP 142 N -0.58 1.24 0.00 6.41 8.00 -1.26 -4.95 116.55 125.41 1q80 n ASP 142 Ca -0.00 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 53.99 1q80 n ASP 142 Cb 0.29 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 1.10 0.50 3.29 0.44 0.00 -1.26 -5.08 105.19 104.18 1q80 n GLY 143 Ca 0.18 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 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 2.49 -0.20 0.99 2.01 -1.26 -3.18 118.68 119.54 1q80 s LEU 144 Ca 0.00 -1.05 0.01 0.00 0.01 0.00 0.00 54.13 53.10 1q80 s LEU 144 Cb 0.00 -0.42 0.04 0.00 0.01 0.00 0.00 46.19 45.82 1q80 s LEU 144 CO 0.00 -0.32 -0.13 -0.76 1.01 0.00 0.00 176.35 176.16 1q80 s LEU 145 N -3.23 2.34 0.73 1.79 1.43 0.11 -4.64 118.68 117.22 1q80 s LEU 145 Ca 0.20 -0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1q80 s LEU 145 Cb 0.02 -1.32 0.13 0.00 0.03 0.00 0.00 46.19 45.05 1q80 s LEU 145 CO 0.03 -0.11 1.01 -0.94 0.23 0.00 0.00 176.35 176.57 1q80 s SER 146 N 1.35 4.30 0.24 2.29 1.04 -1.26 -1.24 113.70 120.42 1q80 s SER 146 Ca -0.00 -0.25 -0.05 0.00 0.48 0.00 0.00 55.95 56.12 1q80 s SER 146 Cb -0.16 -0.13 0.35 0.00 0.10 0.00 0.00 66.02 66.17 1q80 s SER 146 CO -0.09 -1.89 1.84 0.25 0.98 0.00 0.00 173.24 174.33 1q80 h LEU 147 N -0.60 0.80 0.00 2.42 5.85 -2.00 -1.96 115.31 119.83 1q80 h LEU 147 Ca -0.38 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 1q80 h LEU 147 Cb 1.27 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1q80 h LEU 147 CO 0.41 0.50 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.93 1q80 h GLU 148 N 0.93 -0.00 -0.24 1.25 4.22 -1.99 -1.53 114.58 117.21 1q80 h GLU 148 Ca 0.38 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.83 1q80 h GLU 148 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1q80 h GLU 148 CO -0.19 -0.00 0.15 0.93 -2.18 0.00 0.00 179.01 177.72 1q80 h GLU 149 N -0.01 0.30 -0.20 1.92 3.07 -1.86 -1.58 114.58 116.23 1q80 h GLU 149 Ca -0.00 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1q80 h GLU 149 Cb 0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1q80 h GLU 149 CO 0.00 0.20 0.12 0.35 -1.40 0.00 0.00 179.01 178.28 1q80 h PHE 150 N 0.31 0.26 -0.68 4.33 3.57 -1.32 -1.14 116.94 122.25 1q80 h PHE 150 Ca 0.09 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1q80 h PHE 150 Cb -0.02 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1q80 h PHE 150 CO -0.07 0.19 0.26 -0.39 -2.23 0.00 0.00 178.31 176.07 1q80 h VAL 151 N 0.24 1.24 0.35 1.41 -1.51 -1.22 -1.53 116.25 115.23 1q80 h VAL 151 Ca 0.07 -0.77 -0.02 0.00 -1.23 0.00 0.00 66.70 64.76 1q80 h VAL 151 Cb 0.01 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 29.61 1q80 h VAL 151 CO -0.01 0.31 -0.17 0.40 -1.23 0.00 0.00 177.57 176.86 1q80 h ILE 152 N 0.99 0.64 -0.41 7.19 2.04 -1.12 -0.42 117.51 126.43 1q80 h ILE 152 Ca 0.23 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.16 1q80 h ILE 152 Cb 0.21 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 1q80 h ILE 152 CO -0.02 0.00 0.04 0.00 0.00 0.00 0.00 178.15 178.17 1q80 h ALA 153 N 0.17 0.40 -0.27 1.87 0.00 -1.10 -1.29 119.26 119.05 1q80 h ALA 153 Ca -0.05 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1q80 h ALA 153 Cb 0.37 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1q80 h ALA 153 CO 0.07 -0.36 0.02 0.78 0.00 0.00 0.00 179.25 179.76 1q80 h GLY 154 N 0.15 0.50 0.75 0.00 0.00 -1.28 -1.31 103.07 101.88 1q80 h GLY 154 Ca 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1q80 h GLY 154 CO -0.30 0.32 -0.28 1.76 0.00 0.00 0.00 176.54 178.04 1q80 h SER 155 N 0.26 -0.75 -0.11 0.19 0.02 -0.98 -2.34 113.55 109.85 1q80 h SER 155 Ca 0.08 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1q80 h SER 155 Cb 0.38 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1q80 h SER 155 CO 0.01 -0.42 0.06 -0.78 -1.14 0.00 0.00 176.83 174.56 1q80 h ASP 156 N -0.64 0.13 -0.53 3.07 3.58 -1.30 0.89 116.42 121.62 1q80 h ASP 156 Ca -0.03 -0.06 0.10 0.00 0.42 0.00 0.00 57.03 57.47 1q80 h ASP 156 Cb 0.56 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.50 1q80 h ASP 156 CO -0.02 0.15 0.05 0.15 -2.88 0.00 0.00 179.24 176.68 1q80 h PHE 157 N 0.10 0.05 0.24 0.28 3.57 -1.23 0.23 116.94 120.19 1q80 h PHE 157 Ca 0.04 0.04 -0.33 0.00 3.53 0.00 0.00 57.97 61.24 1q80 h PHE 157 Cb 0.04 0.06 0.04 0.00 2.79 0.00 0.00 35.95 38.88 1q80 h PHE 157 CO -0.05 -0.08 -1.45 0.74 -2.23 0.00 0.00 178.31 175.23 1q80 h PHE 158 N 0.17 0.93 0.14 0.41 0.04 -1.37 -3.41 116.94 113.85 1q80 h PHE 158 Ca 0.27 -0.68 -0.35 0.00 2.80 0.00 0.00 57.97 60.01 1q80 h PHE 158 Cb 0.40 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1q80 h PHE 158 CO -0.29 1.53 -1.87 0.00 -0.60 0.00 0.00 178.31 177.09 1q80 h MET 159 N 0.14 0.30 -6.05 1.51 -0.00 -0.77 -3.44 114.93 106.62 1q80 h MET 159 Ca -0.24 -0.51 -0.58 0.00 -0.00 0.00 0.00 59.70 58.36 1q80 h MET 159 Cb 2.15 0.19 -0.10 0.00 -0.00 0.00 0.00 31.60 33.84 1q80 h MET 159 CO 0.27 1.21 1.07 1.21 -0.00 0.00 0.00 176.91 180.68 1q80 s ASN 160 N -7.09 6.28 -0.48 -0.10 3.84 0.06 -4.90 114.94 112.56 1q80 s ASN 160 Ca -0.18 -0.92 0.01 0.00 0.21 0.00 0.00 52.86 51.98 1q80 s ASN 160 Cb 0.06 -2.53 0.51 0.00 -0.55 0.00 0.00 41.25 38.74 1q80 s ASN 160 CO 0.81 -1.63 1.91 0.47 -2.79 0.00 0.00 177.10 175.87 1q80 n ASP 161 N 8.78 5.30 0.00 -4.21 8.00 -1.26 -4.64 116.55 128.51 1q80 n ASP 161 Ca 0.11 -3.52 0.00 0.00 0.71 0.00 0.00 54.79 52.10 1q80 n ASP 161 Cb 0.49 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 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 -0.83 0.03 0.00 0.44 0.00 -1.26 -4.82 105.19 98.75 1q80 n GLY 162 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1q80 n GLY 162 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q80 n ASP 163 N -0.56 0.00 -0.32 1.61 -0.08 -1.26 -5.01 116.55 110.93 1q80 n ASP 163 Ca 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 1q80 n ASP 163 Cb 0.00 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 1q80 n ASP 163 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1q80 n SER 164 N 0.00 -1.90 0.10 1.67 3.41 -1.26 -4.38 113.62 111.26 1q80 n SER 164 Ca 0.00 0.15 -0.18 0.00 -0.26 0.00 0.00 58.87 58.58 1q80 n SER 164 Cb 0.00 -0.98 -0.12 0.00 -0.26 0.00 0.00 64.21 62.85 1q80 n SER 164 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1q80 h THR 165 N -0.30 1.40 0.00 6.66 1.35 -2.03 -3.34 112.91 116.65 1q80 h THR 165 Ca 0.00 -2.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.12 1q80 h THR 165 Cb 0.29 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 1q80 h THR 165 CO 0.00 0.81 0.00 0.59 -0.25 0.00 0.00 175.52 176.68 1q80 n ASN 166 N -3.66 0.00 0.00 5.36 4.13 -1.26 -3.62 115.26 116.20 1q80 n ASN 166 Ca -0.10 -0.67 0.06 0.00 1.68 0.00 0.00 54.58 55.55 1q80 n ASN 166 Cb 0.98 0.00 0.29 0.00 -1.54 0.00 0.00 39.78 39.51 1q80 n ASN 166 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1q80 n LYS 167 N -0.88 0.10 -0.50 3.52 2.85 -1.26 -2.98 118.16 119.02 1q80 n LYS 167 Ca 0.10 0.22 0.04 0.00 -1.05 0.00 0.00 58.31 57.62 1q80 n LYS 167 Cb 0.05 -1.50 0.20 0.00 -0.65 0.00 0.00 35.03 33.13 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 -1.37 2.26 0.26 0.58 0.31 -1.24 -4.84 118.33 114.28 1q80 n VAL 168 Ca 0.05 -2.55 0.09 0.00 -0.01 0.00 0.00 64.34 61.91 1q80 n VAL 168 Cb 0.12 -0.27 0.46 0.00 -0.91 0.00 0.00 33.84 33.24 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 0.93 0.00 -1.84 3.52 3.57 -1.82 -2.88 116.94 118.42 1q80 h PHE 169 Ca 0.07 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 61.01 1q80 h PHE 169 Cb 1.31 0.00 -0.42 0.00 2.79 0.00 0.00 35.95 39.63 1q80 h PHE 169 CO 0.60 0.00 -0.79 0.91 -2.23 0.00 0.00 178.31 176.80 1q80 n TRP 170 N -2.44 3.11 -4.65 0.41 7.02 -1.26 -4.93 117.44 114.70 1q80 n TRP 170 Ca -0.01 -3.53 0.00 0.00 -1.02 0.00 0.00 57.50 52.94 1q80 n TRP 170 Cb 0.49 -0.32 0.00 0.00 -2.42 0.00 0.00 31.31 29.06 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 -0.26 -1.06 3.52 6.99 0.00 -1.09 -4.90 105.19 108.39 1q80 n GLY 171 Ca 0.31 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1q80 n GLY 171 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1q80 s PRO 172 N 0.00 -0.62 -1.11 1.61 0.02 -1.26 -4.77 135.00 128.87 1q80 s PRO 172 Ca 0.00 0.98 -0.22 0.00 0.02 0.00 0.00 61.00 61.78 1q80 s PRO 172 Cb 0.00 -1.58 0.00 0.00 0.02 0.00 0.00 34.50 32.95 1q80 s PRO 172 CO 0.00 -3.56 1.74 -0.51 -0.33 0.00 0.00 177.00 174.34 1q80 s LEU 173 N -7.13 3.43 0.00 -5.54 1.43 -1.26 -5.00 118.68 104.61 1q80 s LEU 173 Ca 0.68 -1.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1q80 s LEU 173 Cb -0.25 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.40 1q80 s LEU 173 CO 0.63 -2.02 0.00 0.52 0.23 0.00 0.00 176.35 175.71