#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 0.57 0.62 6.43 3.58 -2.05 -1.51 116.42 124.07 1q80 h ASP 2 Ca 0.00 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 1q80 h ASP 2 Cb 0.00 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 40.96 1q80 h ASP 2 CO 0.00 0.38 -0.30 -0.07 -2.88 0.00 0.00 179.24 176.38 1q80 h LEU 3 N 0.70 -0.70 -0.55 2.28 3.38 -1.98 0.99 115.31 119.43 1q80 h LEU 3 Ca 0.27 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.29 1q80 h LEU 3 Cb 0.11 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1q80 h LEU 3 CO -0.14 -0.48 0.31 -0.25 0.09 0.00 0.00 178.44 177.96 1q80 h TRP 4 N -0.86 0.57 -0.03 1.13 7.01 -1.87 -0.33 115.95 121.57 1q80 h TRP 4 Ca -0.08 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 1q80 h TRP 4 Cb 0.65 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.53 1q80 h TRP 4 CO -0.03 0.30 0.02 0.28 -2.79 0.00 0.00 178.44 176.22 1q80 h VAL 5 N 0.60 1.03 -0.59 2.65 2.07 -1.23 -1.87 116.25 118.91 1q80 h VAL 5 Ca 0.23 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 1q80 h VAL 5 Cb 0.09 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1q80 h VAL 5 CO -0.13 0.03 0.17 1.56 0.02 0.00 0.00 177.57 179.21 1q80 h GLN 6 N 0.00 0.89 -0.04 1.57 4.20 -0.67 -1.15 115.11 119.92 1q80 h GLN 6 Ca 0.01 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1q80 h GLN 6 Cb 0.03 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1q80 h GLN 6 CO -0.00 0.78 0.02 0.87 -0.67 0.00 0.00 178.83 179.83 1q80 h LYS 7 N 0.86 0.06 -0.56 1.46 1.57 -0.94 0.17 116.57 119.19 1q80 h LYS 7 Ca 0.19 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1q80 h LYS 7 Cb 0.27 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1q80 h LYS 7 CO -0.01 0.12 0.31 0.52 -0.57 0.00 0.00 179.45 179.83 1q80 h MET 8 N -0.02 0.77 -0.86 3.15 2.86 -1.29 -1.78 114.93 117.77 1q80 h MET 8 Ca 0.02 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1q80 h MET 8 Cb 0.08 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 1q80 h MET 8 CO -0.00 0.59 0.49 0.87 1.06 0.00 0.00 176.91 179.92 1q80 h LYS 9 N 0.75 1.18 0.35 1.72 1.57 -1.17 -0.98 116.57 119.99 1q80 h LYS 9 Ca 0.20 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1q80 h LYS 9 Cb 0.04 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1q80 h LYS 9 CO -0.03 0.84 -0.43 1.15 -0.57 0.00 0.00 179.45 180.41 1q80 h THR 10 N 1.19 0.14 -0.79 -0.16 2.02 -0.52 -0.07 112.91 114.72 1q80 h THR 10 Ca 0.31 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.48 1q80 h THR 10 Cb -0.01 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 66.50 1q80 h THR 10 CO -0.05 0.00 0.47 0.22 0.37 0.00 0.00 175.52 176.52 1q80 h TYR 11 N -0.82 1.05 0.33 3.16 3.20 -1.29 -1.51 116.97 121.09 1q80 h TYR 11 Ca -0.03 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1q80 h TYR 11 Cb 0.75 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1q80 h TYR 11 CO -0.27 0.71 -0.16 0.35 -1.64 0.00 0.00 178.16 177.15 1q80 h PHE 12 N 1.08 -0.42 -0.48 -3.82 3.57 -1.05 -0.80 116.94 115.03 1q80 h PHE 12 Ca 0.28 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.81 1q80 h PHE 12 Cb -0.03 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1q80 h PHE 12 CO -0.00 -0.15 0.32 -0.97 -2.23 0.00 0.00 178.31 175.27 1q80 h ASN 13 N -0.63 0.45 0.46 0.41 -0.73 -0.99 -1.54 115.58 113.01 1q80 h ASN 13 Ca -0.05 -0.01 -0.28 0.00 1.87 0.00 0.00 56.30 57.84 1q80 h ASN 13 Cb 0.45 -0.10 0.01 0.00 0.27 0.00 0.00 38.32 38.95 1q80 h ASN 13 CO 0.08 0.31 -1.25 0.03 -0.37 0.00 0.00 177.43 176.22 1q80 h ARG 14 N 0.52 0.38 0.00 6.67 2.47 -1.26 -3.31 114.38 119.86 1q80 h ARG 14 Ca 0.19 -0.60 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 1q80 h ARG 14 Cb 0.13 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1q80 h ARG 14 CO -0.05 1.27 0.00 0.97 0.56 0.00 0.00 179.97 182.72 1q80 h ILE 15 N 0.13 0.00 0.00 2.04 6.09 -0.96 -3.39 117.51 121.43 1q80 h ILE 15 Ca -0.16 -0.45 -0.44 0.00 -1.37 0.00 0.00 64.86 62.44 1q80 h ILE 15 Cb 1.95 1.35 0.01 0.00 0.47 0.00 0.00 36.82 40.60 1q80 h ILE 15 CO 0.22 0.00 2.60 -0.67 -3.07 0.00 0.00 178.15 177.23 1q80 n ASP 16 N -2.48 6.08 0.21 2.19 2.03 -0.60 -4.71 116.55 119.26 1q80 n ASP 16 Ca 0.03 -2.39 0.06 0.00 0.52 0.00 0.00 54.79 53.02 1q80 n ASP 16 Cb 0.35 -1.25 0.45 0.00 -0.72 0.00 0.00 41.12 39.95 1q80 n ASP 16 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1q80 h PHE 17 N 5.47 0.00 0.00 -0.67 -1.00 -1.80 -3.08 116.94 115.86 1q80 h PHE 17 Ca 0.57 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.35 1q80 h PHE 17 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 1q80 h PHE 17 CO 1.88 0.30 0.00 -3.47 -1.61 0.00 0.00 178.31 175.41 1q80 n ASP 18 N -3.78 0.00 0.00 2.17 -0.08 -1.26 -4.92 116.55 108.68 1q80 n ASP 18 Ca -0.01 0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1q80 n ASP 18 Cb 0.40 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.54 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 -1.31 -1.97 0.06 -0.67 2.85 -1.17 -4.88 118.16 111.07 1q80 n LYS 19 Ca 0.10 0.42 0.13 0.00 -1.05 0.00 0.00 58.31 57.91 1q80 n LYS 19 Cb 0.19 -4.63 0.41 0.00 -0.65 0.00 0.00 35.03 30.35 1q80 n LYS 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1q80 n ASP 20 N -0.42 0.54 0.00 -5.58 -0.08 -1.26 -4.96 116.55 104.79 1q80 n ASP 20 Ca 0.00 0.39 0.00 0.00 -1.51 0.00 0.00 54.79 53.67 1q80 n ASP 20 Cb 0.42 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.44 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 1.39 0.62 3.07 0.27 0.00 -1.26 -5.07 105.19 104.20 1q80 n GLY 21 Ca 0.06 0.00 -0.29 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 -2.28 1.74 0.02 4.61 0.00 -1.26 -4.33 121.76 120.26 1q80 s ALA 22 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1q80 s ALA 22 Cb 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1q80 s ALA 22 CO 0.00 -0.06 1.26 0.42 0.00 0.00 0.00 175.76 177.38 1q80 s ILE 23 N 0.95 3.96 0.31 0.00 1.09 0.10 -4.56 121.20 123.06 1q80 s ILE 23 Ca -0.07 1.37 0.04 0.00 -1.10 0.00 0.00 60.65 60.89 1q80 s ILE 23 Cb -0.15 -3.88 -0.03 0.00 -1.06 0.00 0.00 42.46 37.35 1q80 s ILE 23 CO -0.01 0.05 0.29 0.42 -0.10 0.00 0.00 174.94 175.59 1q80 s THR 24 N 1.70 0.00 0.43 2.92 -4.23 -1.26 -1.69 115.64 113.50 1q80 s THR 24 Ca 0.60 -1.93 0.10 0.00 -1.18 0.00 0.00 61.69 59.28 1q80 s THR 24 Cb -0.29 -2.52 0.28 0.00 1.34 0.00 0.00 72.50 71.31 1q80 s THR 24 CO 0.27 0.00 2.06 -0.09 -0.54 0.00 0.00 174.62 176.31 1q80 h ARG 25 N 2.20 0.44 -0.69 3.99 2.43 -1.96 -2.93 114.38 117.86 1q80 h ARG 25 Ca -0.27 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.00 1q80 h ARG 25 Cb 1.24 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 1q80 h ARG 25 CO 0.39 0.29 0.46 0.52 -1.51 0.00 0.00 179.97 180.12 1q80 h MET 26 N 0.45 0.40 -0.13 0.20 2.86 -1.98 -1.59 114.93 115.14 1q80 h MET 26 Ca 0.16 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1q80 h MET 26 Cb 0.07 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1q80 h MET 26 CO -0.04 0.26 0.05 -0.44 1.06 0.00 0.00 176.91 177.81 1q80 h ASP 27 N 0.41 0.17 -0.44 1.22 5.19 -1.85 -0.18 116.42 120.95 1q80 h ASP 27 Ca 0.33 -0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.52 1q80 h ASP 27 Cb 0.71 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 1q80 h ASP 27 CO -0.10 0.29 0.06 -0.26 -3.12 0.00 0.00 179.24 176.11 1q80 h PHE 28 N 0.05 0.77 -0.42 4.55 0.04 -1.59 0.58 116.94 120.92 1q80 h PHE 28 Ca 0.04 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 1q80 h PHE 28 Cb 0.17 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 1q80 h PHE 28 CO -0.02 0.74 0.21 0.93 -0.60 0.00 0.00 178.31 179.58 1q80 h GLU 29 N 0.58 0.60 0.18 1.51 5.08 -1.32 -1.47 114.58 119.75 1q80 h GLU 29 Ca 0.13 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1q80 h GLU 29 Cb 0.39 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1q80 h GLU 29 CO 0.01 0.51 -0.09 0.77 -1.00 0.00 0.00 179.01 179.21 1q80 h SER 30 N 0.54 -0.20 -0.52 1.42 0.02 -0.94 -2.53 113.55 111.34 1q80 h SER 30 Ca 0.15 -0.08 0.10 0.00 -0.84 0.00 0.00 61.79 61.12 1q80 h SER 30 Cb 0.10 0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.61 1q80 h SER 30 CO -0.02 -0.05 0.01 -0.03 -1.14 0.00 0.00 176.83 175.60 1q80 h MET 31 N -0.35 0.12 -0.48 3.45 1.85 -0.88 -1.38 114.93 117.26 1q80 h MET 31 Ca -0.02 -0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.08 1q80 h MET 31 Cb 0.27 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.25 1q80 h MET 31 CO 0.04 0.08 0.28 0.00 -0.40 0.00 0.00 176.91 176.91 1q80 h ALA 32 N 1.46 0.61 0.03 0.39 0.00 -1.24 -1.41 119.26 119.10 1q80 h ALA 32 Ca 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1q80 h ALA 32 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1q80 h ALA 32 CO -0.43 -0.02 -0.01 1.49 0.00 0.00 0.00 179.25 180.27 1q80 h GLU 33 N 0.57 -0.04 -0.19 0.00 4.22 -1.07 0.37 114.58 118.45 1q80 h GLU 33 Ca 0.19 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.66 1q80 h GLU 33 Cb 0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1q80 h GLU 33 CO -0.09 0.04 0.00 0.00 -2.18 0.00 0.00 179.01 176.79 1q80 h ARG 34 N -0.11 0.06 0.19 1.92 2.47 -1.20 -2.05 114.38 115.67 1q80 h ARG 34 Ca -0.00 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1q80 h ARG 34 Cb 0.10 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1q80 h ARG 34 CO 0.01 0.04 -0.09 0.35 0.56 0.00 0.00 179.97 180.84 1q80 h PHE 35 N 0.07 -0.24 -0.48 3.04 3.04 -1.27 -2.62 116.94 118.48 1q80 h PHE 35 Ca 0.09 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.06 1q80 h PHE 35 Cb 0.11 0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.66 1q80 h PHE 35 CO -0.17 -0.01 0.27 0.00 -2.02 0.00 0.00 178.31 176.38 1q80 h ALA 36 N 0.34 0.61 0.17 2.41 0.00 -0.88 -3.30 119.26 118.61 1q80 h ALA 36 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 1q80 h ALA 36 Cb 0.33 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1q80 h ALA 36 CO 0.04 -0.06 -1.07 0.87 0.00 0.00 0.00 179.25 179.03 1q80 h LYS 37 N 0.53 0.35 -1.51 0.00 1.57 -1.47 -3.40 116.57 112.64 1q80 h LYS 37 Ca 0.20 -0.60 -0.70 0.00 -1.87 0.00 0.00 60.65 57.68 1q80 h LYS 37 Cb 0.06 0.22 -0.31 0.00 0.08 0.00 0.00 32.23 32.29 1q80 h LYS 37 CO -0.11 1.29 0.63 0.39 -0.57 0.00 0.00 179.45 181.07 1q80 n GLU 38 N -3.99 2.89 -3.56 3.15 4.71 -0.99 -4.97 120.64 117.88 1q80 n GLU 38 Ca -0.16 -3.62 -0.08 0.00 -0.01 0.00 0.00 57.16 53.28 1q80 n GLU 38 Cb 0.91 -2.27 -0.02 0.00 -1.01 0.00 0.00 31.44 29.04 1q80 n GLU 38 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1q80 s SER 39 N -1.84 -0.37 -0.61 1.62 0.01 -1.24 -4.97 113.70 106.30 1q80 s SER 39 Ca 0.56 -0.12 -0.28 0.00 1.31 0.00 0.00 55.95 57.42 1q80 s SER 39 Cb 0.45 0.48 0.02 0.00 0.21 0.00 0.00 66.02 67.19 1q80 s SER 39 CO -0.22 -0.81 1.31 -1.61 0.41 0.00 0.00 173.24 172.32 1q80 s GLU 40 N -3.36 3.34 0.03 12.44 2.02 -1.26 -4.92 118.70 127.00 1q80 s GLU 40 Ca 0.06 0.22 0.01 0.00 0.02 0.00 0.00 54.97 55.28 1q80 s GLU 40 Cb -0.01 -4.10 -0.02 0.00 0.10 0.00 0.00 34.13 30.10 1q80 s GLU 40 CO -0.07 -1.90 -0.06 -1.64 0.02 0.00 0.00 175.26 171.61 1q80 s MET 41 N 5.38 0.44 0.66 1.61 -1.94 -1.26 -4.90 119.30 119.29 1q80 s MET 41 Ca 0.45 -0.66 -0.14 0.00 -1.71 0.00 0.00 55.69 53.62 1q80 s MET 41 Cb -0.09 -0.17 -0.00 0.00 2.01 0.00 0.00 34.83 36.58 1q80 s MET 41 CO 0.23 0.02 1.09 -1.59 -0.01 0.00 0.00 175.02 174.76 1q80 s LYS 42 N -1.42 2.90 0.16 2.03 -2.85 -1.17 -4.96 119.74 114.43 1q80 s LYS 42 Ca -0.11 1.25 -0.25 0.00 -1.00 0.00 0.00 55.97 55.87 1q80 s LYS 42 Cb -0.09 -1.97 0.01 0.00 -2.06 0.00 0.00 37.83 33.71 1q80 s LYS 42 CO -0.00 -1.15 1.41 0.00 0.10 0.00 0.00 175.35 175.71 1q80 n ALA 43 N -2.52 -0.46 1.41 0.59 0.00 -1.26 -1.47 120.51 116.80 1q80 n ALA 43 Ca 0.09 0.81 0.13 0.00 0.00 0.00 0.00 53.44 54.48 1q80 n ALA 43 Cb 0.53 -0.20 0.72 0.00 0.00 0.00 0.00 19.45 20.49 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 -5.19 0.53 0.29 0.00 0.00 -1.26 -4.09 120.64 110.92 1q80 n GLU 44 Ca 0.04 0.02 0.18 0.00 0.00 0.00 0.00 57.16 57.40 1q80 n GLU 44 Cb 0.27 -1.50 0.87 0.00 0.00 0.00 0.00 31.44 31.08 1q80 n GLU 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1q80 h HIS 45 N 0.00 0.00 -0.40 -1.84 2.76 -1.60 -3.24 115.15 110.83 1q80 h HIS 45 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1q80 h HIS 45 Cb 0.17 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1q80 h HIS 45 CO 0.00 0.04 0.21 0.00 -1.30 0.00 0.00 177.93 176.88 1q80 h ALA 46 N 1.96 0.51 -0.65 5.26 0.00 -1.76 -0.56 119.26 124.01 1q80 h ALA 46 Ca -0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1q80 h ALA 46 Cb 0.31 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1q80 h ALA 46 CO 0.01 0.06 0.23 1.57 0.00 0.00 0.00 179.25 181.11 1q80 h LYS 47 N 0.51 1.00 -0.23 0.00 5.09 -1.88 -2.37 116.57 118.69 1q80 h LYS 47 Ca 0.14 -0.20 -0.00 0.00 0.09 0.00 0.00 60.65 60.68 1q80 h LYS 47 Cb 0.08 -0.15 -0.01 0.00 0.10 0.00 0.00 32.23 32.25 1q80 h LYS 47 CO -0.02 0.86 0.14 -0.24 -2.09 0.00 0.00 179.45 178.10 1q80 h VAL 48 N 0.94 1.08 -0.38 0.07 3.04 -1.62 -1.03 116.25 118.35 1q80 h VAL 48 Ca 0.21 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 1q80 h VAL 48 Cb 0.26 0.80 -0.02 0.00 -2.01 0.00 0.00 31.29 30.32 1q80 h VAL 48 CO -0.01 0.08 0.25 0.25 -1.01 0.00 0.00 177.57 177.13 1q80 h LEU 49 N 0.29 0.44 0.21 3.16 5.85 -1.11 -1.16 115.31 122.98 1q80 h LEU 49 Ca 0.08 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1q80 h LEU 49 Cb 0.01 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1q80 h LEU 49 CO -0.02 0.32 -0.10 0.24 -0.34 0.00 0.00 178.44 178.54 1q80 h MET 50 N 0.52 -0.27 -0.48 1.25 2.86 -1.34 -1.40 114.93 116.08 1q80 h MET 50 Ca 0.14 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1q80 h MET 50 Cb -0.06 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1q80 h MET 50 CO -0.03 -0.16 0.28 0.38 1.06 0.00 0.00 176.91 178.44 1q80 h ASP 51 N -0.30 0.58 -0.13 1.22 3.04 -1.12 -1.55 116.42 118.16 1q80 h ASP 51 Ca -0.03 -0.07 -0.14 0.00 -3.24 0.00 0.00 57.03 53.55 1q80 h ASP 51 Cb 0.23 -0.15 0.00 0.00 -1.04 0.00 0.00 39.33 38.38 1q80 h ASP 51 CO 0.05 0.49 -0.45 0.28 -2.04 0.00 0.00 179.24 177.56 1q80 h SER 52 N 0.63 0.63 -0.05 4.15 0.02 -1.27 -0.35 113.55 117.32 1q80 h SER 52 Ca 0.17 -0.61 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1q80 h SER 52 Cb 0.02 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1q80 h SER 52 CO -0.03 1.13 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.70 1q80 h LEU 53 N 0.16 0.10 -1.38 5.07 3.38 -1.31 -3.08 115.31 118.25 1q80 h LEU 53 Ca -0.02 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1q80 h LEU 53 Cb 1.08 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1q80 h LEU 53 CO 0.10 0.48 0.39 0.71 0.09 0.00 0.00 178.44 180.21 1q80 h THR 54 N -0.28 1.16 -0.88 0.22 1.35 -1.37 -2.94 112.91 110.17 1q80 h THR 54 Ca 0.01 -0.32 0.10 0.00 -0.55 0.00 0.00 66.41 65.65 1q80 h THR 54 Cb 0.44 0.28 -0.06 0.00 -1.73 0.00 0.00 68.15 67.08 1q80 h THR 54 CO 0.01 0.16 0.57 1.23 -0.25 0.00 0.00 175.52 177.24 1q80 h GLY 55 N 0.84 1.25 0.50 5.82 0.00 -1.01 -1.31 103.07 109.16 1q80 h GLY 55 Ca 0.22 -0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.26 1q80 h GLY 55 CO -0.05 0.20 0.13 -2.08 0.00 0.00 0.00 176.54 174.75 1q80 h VAL 56 N 0.86 0.80 0.72 4.60 2.07 -1.43 -1.07 116.25 122.80 1q80 h VAL 56 Ca 0.41 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.79 1q80 h VAL 56 Cb 0.42 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1q80 h VAL 56 CO -0.17 0.05 -0.34 -0.25 0.02 0.00 0.00 177.57 176.88 1q80 h TRP 57 N 0.29 -0.89 -0.79 1.57 2.91 -1.57 -2.91 115.95 114.56 1q80 h TRP 57 Ca 0.23 -0.02 0.18 0.00 1.13 0.00 0.00 58.89 60.41 1q80 h TRP 57 Cb 0.26 0.30 -0.12 0.00 -0.51 0.00 0.00 29.16 29.08 1q80 h TRP 57 CO -0.18 -0.56 0.21 0.22 -1.03 0.00 0.00 178.44 177.10 1q80 h ASP 58 N -1.24 0.04 0.50 2.65 3.58 -1.11 -0.80 116.42 120.03 1q80 h ASP 58 Ca -0.10 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1q80 h ASP 58 Cb 0.74 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1q80 h ASP 58 CO 0.16 -0.06 -1.21 0.59 -2.88 0.00 0.00 179.24 175.84 1q80 n ASN 59 N -5.16 0.56 0.03 2.28 3.02 -0.42 -4.65 115.26 110.91 1q80 n ASN 59 Ca 0.17 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1q80 n ASN 59 Cb 0.53 0.94 0.00 0.00 -0.61 0.00 0.00 39.78 40.64 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 -2.21 -0.28 -0.12 3.10 3.72 -1.05 -4.93 117.46 115.69 1q80 n PHE 60 Ca 0.00 0.05 -0.04 0.00 -0.05 0.00 0.00 57.45 57.41 1q80 n PHE 60 Cb 0.49 0.16 0.17 0.00 -0.94 0.00 0.00 39.48 39.36 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 0.77 -0.92 4.37 3.38 -1.42 -3.33 115.31 118.16 1q80 h LEU 61 Ca 0.00 -0.17 0.27 0.00 0.09 0.00 0.00 57.88 58.07 1q80 h LEU 61 Cb 0.00 -0.20 -0.15 0.00 0.09 0.00 0.00 40.66 40.40 1q80 h LEU 61 CO 0.00 0.80 0.31 0.74 0.09 0.00 0.00 178.44 180.38 1q80 h THR 62 N 0.76 0.26 0.00 0.22 2.02 -1.42 -2.43 112.91 112.32 1q80 h THR 62 Ca 0.16 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1q80 h THR 62 Cb 0.39 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1q80 h THR 62 CO 0.01 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.94 1q80 n ALA 63 N -2.63 1.98 0.17 6.16 0.00 -1.25 -1.12 120.51 123.82 1q80 n ALA 63 Ca 0.25 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.52 1q80 n ALA 63 Cb 0.79 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 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 0.09 -0.87 0.00 2.07 -1.68 -3.39 116.25 112.46 1q80 h VAL 64 Ca 0.00 -0.65 -0.55 0.00 0.82 0.00 0.00 66.70 66.32 1q80 h VAL 64 Cb 0.07 0.14 -0.43 0.00 -1.52 0.00 0.00 31.29 29.56 1q80 h VAL 64 CO 0.00 0.02 -0.81 0.00 0.02 0.00 0.00 177.57 176.80 1q80 n ALA 65 N -2.72 4.97 -3.74 1.67 0.00 -1.26 -4.99 120.51 114.44 1q80 n ALA 65 Ca -0.07 -3.85 -0.26 0.00 0.00 0.00 0.00 53.44 49.25 1q80 n ALA 65 Cb 0.22 -0.37 0.05 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.67 -0.50 2.49 0.00 0.00 -1.24 -3.22 105.19 102.05 1q80 n GLY 66 Ca 0.42 0.22 -0.21 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.81 0.58 2.46 -0.02 0.00 -0.27 -4.99 105.19 101.13 1q80 n GLY 67 Ca -0.01 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.50 0.76 0.00 1.61 1.02 -1.20 -4.94 119.74 112.50 1q80 s LYS 68 Ca 0.00 -1.71 -0.00 0.00 0.02 0.00 0.00 55.97 54.28 1q80 s LYS 68 Cb 0.00 -1.44 0.00 0.00 -0.52 0.00 0.00 37.83 35.87 1q80 s LYS 68 CO 0.00 -1.28 0.00 0.41 -0.92 0.00 0.00 175.35 173.56 1q80 n GLY 69 N 3.50 -3.10 3.10 -3.33 0.00 -1.26 -4.97 105.19 99.12 1q80 n GLY 69 Ca 0.19 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.06 2.38 0.96 -0.61 1.01 -0.68 -4.86 121.20 119.34 1q80 s ILE 70 Ca -0.00 -1.58 -0.15 0.00 0.00 0.00 0.00 60.65 58.92 1q80 s ILE 70 Cb 0.00 -2.40 0.18 0.00 0.01 0.00 0.00 42.46 40.25 1q80 s ILE 70 CO 0.00 -0.06 1.22 1.51 0.00 0.00 0.00 174.94 177.61 1q80 s ASP 71 N 1.14 3.09 0.23 3.58 1.47 -1.26 -0.72 116.67 124.20 1q80 s ASP 71 Ca -0.08 0.59 -0.07 0.00 1.18 0.00 0.00 52.55 54.17 1q80 s ASP 71 Cb -0.20 -0.88 0.21 0.00 -0.34 0.00 0.00 42.92 41.71 1q80 s ASP 71 CO -0.04 -2.78 1.88 -0.08 0.68 0.00 0.00 175.17 174.83 1q80 h GLU 72 N -1.66 1.22 0.18 2.11 4.81 -2.00 -1.19 114.58 118.05 1q80 h GLU 72 Ca -0.46 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 58.66 1q80 h GLU 72 Cb 1.29 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1q80 h GLU 72 CO 0.48 0.86 -0.21 1.15 -0.73 0.00 0.00 179.01 180.56 1q80 h THR 73 N 1.24 0.53 -0.76 0.32 2.02 -1.98 0.34 112.91 114.61 1q80 h THR 73 Ca 0.32 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.51 1q80 h THR 73 Cb -0.05 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1q80 h THR 73 CO -0.06 0.00 0.50 0.71 0.37 0.00 0.00 175.52 177.04 1q80 h THR 74 N -0.44 1.20 0.30 3.16 1.35 -1.92 0.96 112.91 117.51 1q80 h THR 74 Ca 0.01 -0.38 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 1q80 h THR 74 Cb 0.43 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 1q80 h THR 74 CO -0.07 0.20 -0.14 0.15 -0.25 0.00 0.00 175.52 175.40 1q80 h PHE 75 N 1.04 -0.37 -0.72 4.73 3.04 -1.08 -1.16 116.94 122.41 1q80 h PHE 75 Ca 0.28 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.26 1q80 h PHE 75 Cb -0.10 0.12 -0.05 0.00 2.56 0.00 0.00 35.95 38.48 1q80 h PHE 75 CO -0.02 -0.10 0.44 0.82 -2.02 0.00 0.00 178.31 177.43 1q80 h ILE 76 N -0.60 1.05 -0.29 1.41 1.08 -0.84 -1.48 117.51 117.84 1q80 h ILE 76 Ca -0.04 -0.29 0.03 0.00 -0.39 0.00 0.00 64.86 64.17 1q80 h ILE 76 Cb 0.44 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 1q80 h ILE 76 CO 0.07 0.15 0.11 -1.13 -0.69 0.00 0.00 178.15 176.66 1q80 h ASN 77 N 0.83 0.13 -0.53 1.72 -1.24 -0.80 -0.84 115.58 114.85 1q80 h ASN 77 Ca 0.30 0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.39 1q80 h ASN 77 Cb 0.09 0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.10 1q80 h ASN 77 CO -0.14 0.11 0.27 0.77 -1.29 0.00 0.00 177.43 177.15 1q80 h SER 78 N 0.24 0.39 -0.20 1.15 4.64 -0.77 -1.18 113.55 117.82 1q80 h SER 78 Ca 0.13 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1q80 h SER 78 Cb 0.09 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1q80 h SER 78 CO -0.12 0.27 0.04 0.24 -0.87 0.00 0.00 176.83 176.38 1q80 h MET 79 N 0.53 0.32 -0.99 4.77 2.86 -1.15 -2.39 114.93 118.88 1q80 h MET 79 Ca 0.23 -0.08 0.13 0.00 -2.06 0.00 0.00 59.70 57.92 1q80 h MET 79 Cb 0.14 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.68 1q80 h MET 79 CO -0.16 0.47 0.62 -0.22 1.06 0.00 0.00 176.91 178.68 1q80 h LYS 80 N 0.12 0.92 0.02 1.72 3.11 -0.99 -2.30 116.57 119.17 1q80 h LYS 80 Ca 0.06 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1q80 h LYS 80 Cb 0.30 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.32 1q80 h LYS 80 CO 0.00 0.61 -0.01 1.49 -2.81 0.00 0.00 179.45 178.73 1q80 h GLU 81 N 0.95 -0.03 -0.95 1.90 4.57 -1.17 -3.27 114.58 116.58 1q80 h GLU 81 Ca 0.49 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.74 1q80 h GLU 81 Cb 0.54 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.07 1q80 h GLU 81 CO -0.26 0.48 0.61 0.52 -1.18 0.00 0.00 179.01 179.18 1q80 h MET 82 N -0.54 1.06 0.00 1.92 2.86 -1.31 -2.62 114.93 116.29 1q80 h MET 82 Ca -0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1q80 h MET 82 Cb 0.51 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1q80 h MET 82 CO 0.00 0.70 0.00 1.33 1.06 0.00 0.00 176.91 180.00 1q80 n VAL 83 N -4.49 0.02 -0.37 -2.22 0.24 -0.88 -4.17 118.33 106.46 1q80 n VAL 83 Ca 0.14 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.51 1q80 n VAL 83 Cb 0.20 -0.55 0.22 0.00 -1.47 0.00 0.00 33.84 32.23 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 1.02 -4.35 7.34 1.57 -1.52 -3.32 116.57 117.31 1q80 h LYS 84 Ca 0.00 -0.06 -0.74 0.00 -1.87 0.00 0.00 60.65 57.98 1q80 h LYS 84 Cb 0.04 -0.23 -0.22 0.00 0.08 0.00 0.00 32.23 31.90 1q80 h LYS 84 CO 0.00 0.67 -0.07 1.21 -0.57 0.00 0.00 179.45 180.69 1q80 s ASN 85 N -5.74 6.19 0.60 0.86 3.84 -1.26 -4.99 114.94 114.44 1q80 s ASN 85 Ca -0.12 -1.64 0.30 0.00 0.21 0.00 0.00 52.86 51.61 1q80 s ASN 85 Cb 0.22 -2.25 1.76 0.00 -0.55 0.00 0.00 41.25 40.43 1q80 s ASN 85 CO 0.81 -0.97 2.15 1.55 -2.79 0.00 0.00 177.10 177.85 1q80 h PRO 86 N 9.01 0.00 0.00 0.43 0.13 -1.91 -2.86 132.00 136.81 1q80 h PRO 86 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1q80 h PRO 86 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1q80 h PRO 86 CO 1.07 0.00 -0.82 1.49 -0.23 0.00 0.00 178.00 179.51 1q80 h GLU 87 N 0.00 0.00 -1.88 0.86 4.57 -1.93 -3.39 114.58 112.81 1q80 h GLU 87 Ca 0.06 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.08 1q80 h GLU 87 Cb 0.35 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.88 1q80 h GLU 87 CO -0.00 0.00 0.07 0.00 -1.18 0.00 0.00 179.01 177.90 1q80 n ALA 88 N -2.15 4.93 -0.35 2.92 0.00 -1.08 -4.73 120.51 120.04 1q80 n ALA 88 Ca 0.01 -1.01 0.25 0.00 0.00 0.00 0.00 53.44 52.69 1q80 n ALA 88 Cb 0.54 -1.43 0.50 0.00 0.00 0.00 0.00 19.45 19.06 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 1.65 0.31 -0.28 0.00 1.57 -1.79 -2.60 116.57 115.44 1q80 h LYS 89 Ca 0.14 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.98 1q80 h LYS 89 Cb 1.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1q80 h LYS 89 CO 0.31 0.21 0.28 0.77 -0.57 0.00 0.00 179.45 180.44 1q80 h SER 90 N 0.32 0.00 -0.01 0.86 0.02 -1.95 0.17 113.55 112.96 1q80 h SER 90 Ca 0.72 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.64 1q80 h SER 90 Cb 1.74 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.27 1q80 h SER 90 CO -0.53 0.00 -0.07 -0.37 -1.14 0.00 0.00 176.83 174.72 1q80 h VAL 91 N 0.00 1.14 0.00 2.27 -1.51 -1.84 -1.41 116.25 114.89 1q80 h VAL 91 Ca 0.13 -0.58 -0.31 0.00 -1.23 0.00 0.00 66.70 64.71 1q80 h VAL 91 Cb 0.68 1.11 -0.06 0.00 -2.13 0.00 0.00 31.29 30.90 1q80 h VAL 91 CO -0.00 0.18 -2.18 0.55 -1.23 0.00 0.00 177.57 174.90 1q80 n VAL 92 N -4.34 1.18 0.23 7.19 3.14 -0.64 -4.61 118.33 120.48 1q80 n VAL 92 Ca -0.01 -0.62 0.12 0.00 -2.96 0.00 0.00 64.34 60.87 1q80 n VAL 92 Cb 0.22 -0.82 0.44 0.00 -1.06 0.00 0.00 33.84 32.62 1q80 n VAL 92 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 1q80 h GLU 93 N 0.00 0.00 -1.30 1.45 4.11 -0.75 -3.38 114.58 114.71 1q80 h GLU 93 Ca -0.46 0.00 0.47 0.00 0.07 0.00 0.00 59.36 59.43 1q80 h GLU 93 Cb 1.93 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 31.03 1q80 h GLU 93 CO -0.01 0.13 0.81 0.41 0.07 0.00 0.00 179.01 180.42 1q80 n GLY 94 N 0.40 -0.82 0.31 1.06 0.00 -0.53 -1.67 105.19 103.93 1q80 n GLY 94 Ca 0.01 0.78 0.19 0.00 0.00 0.00 0.00 46.02 47.00 1q80 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1q80 h PRO 95 N 0.00 0.00 0.01 1.61 0.11 -1.88 -3.35 132.00 128.50 1q80 h PRO 95 Ca 0.88 0.00 0.02 0.00 0.11 0.00 0.00 66.00 67.01 1q80 h PRO 95 Cb 2.72 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 33.81 1q80 h PRO 95 CO -0.54 0.02 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.09 1q80 h LEU 96 N 0.00 -0.32 -1.10 2.35 -0.00 -1.66 -1.51 115.31 113.07 1q80 h LEU 96 Ca -0.00 0.05 0.20 0.00 -0.00 0.00 0.00 57.88 58.13 1q80 h LEU 96 Cb 0.16 0.13 -0.10 0.00 -0.00 0.00 0.00 40.66 40.85 1q80 h LEU 96 CO 0.00 -0.16 0.61 -0.65 -0.00 0.00 0.00 178.44 178.25 1q80 h PRO 97 N -0.20 0.66 0.07 1.13 0.11 -1.82 0.12 132.00 132.07 1q80 h PRO 97 Ca 0.04 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1q80 h PRO 97 Cb 0.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1q80 h PRO 97 CO -0.10 0.44 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.02 1q80 h LEU 98 N 0.68 -0.08 -1.19 2.35 -0.00 -1.74 -2.70 115.31 112.64 1q80 h LEU 98 Ca 0.57 -0.38 0.03 0.00 -0.00 0.00 0.00 57.88 58.10 1q80 h LEU 98 Cb 1.00 0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 41.63 1q80 h LEU 98 CO -0.35 0.36 0.56 -0.26 -0.00 0.00 0.00 178.44 178.74 1q80 h PHE 99 N -0.53 1.03 0.01 1.13 0.04 -0.94 -2.19 116.94 115.49 1q80 h PHE 99 Ca -0.01 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.80 1q80 h PHE 99 Cb 0.46 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 1q80 h PHE 99 CO 0.07 0.61 -0.12 0.35 -0.60 0.00 0.00 178.31 178.62 1q80 h PHE 100 N 1.07 -0.30 -0.49 -0.55 3.57 -0.79 -1.16 116.94 118.29 1q80 h PHE 100 Ca 0.33 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 1q80 h PHE 100 Cb -0.00 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1q80 h PHE 100 CO -0.00 -0.18 0.09 0.00 -2.23 0.00 0.00 178.31 175.99 1q80 h ARG 101 N -0.21 0.75 -0.37 1.11 -0.00 -1.33 -2.17 114.38 112.15 1q80 h ARG 101 Ca 0.04 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.98 59.33 1q80 h ARG 101 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 29.97 30.10 1q80 h ARG 101 CO -0.11 0.70 0.10 0.00 0.00 0.00 0.00 179.97 180.66 1q80 h ALA 102 N 1.38 0.49 -0.13 0.04 0.00 -1.21 -3.25 119.26 116.58 1q80 h ALA 102 Ca 0.16 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1q80 h ALA 102 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1q80 h ALA 102 CO 0.00 0.15 -0.50 0.28 0.00 0.00 0.00 179.25 179.19 1q80 h VAL 103 N 0.45 1.34 -0.12 0.00 2.07 -1.17 -3.40 116.25 115.42 1q80 h VAL 103 Ca 0.12 -1.73 -0.51 0.00 0.82 0.00 0.00 66.70 65.40 1q80 h VAL 103 Cb 0.29 1.79 0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1q80 h VAL 103 CO -0.00 0.52 1.63 -0.67 0.02 0.00 0.00 177.57 179.07 1q80 n ASP 104 N -3.96 2.25 -0.21 0.57 2.03 -0.82 -4.83 116.55 111.58 1q80 n ASP 104 Ca -0.02 -2.63 0.27 0.00 0.52 0.00 0.00 54.79 52.93 1q80 n ASP 104 Cb 0.55 -1.19 0.68 0.00 -0.72 0.00 0.00 41.12 40.44 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 5.17 0.56 0.00 5.18 1.03 -1.83 -1.61 112.91 121.40 1q80 h THR 105 Ca 0.31 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.68 1q80 h THR 105 Cb 0.77 0.47 0.00 0.00 -1.07 0.00 0.00 68.15 68.32 1q80 h THR 105 CO 1.72 0.02 -1.21 -0.46 -0.01 0.00 0.00 175.52 175.58 1q80 n ASN 106 N -4.32 0.57 -1.73 0.00 0.23 -1.26 -3.05 115.26 105.69 1q80 n ASN 106 Ca 0.19 0.03 -0.07 0.00 -0.53 0.00 0.00 54.58 54.20 1q80 n ASN 106 Cb 0.94 0.91 0.03 0.00 -2.08 0.00 0.00 39.78 39.58 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 -2.28 -2.57 0.01 -3.83 2.13 -0.61 -4.99 120.64 108.50 1q80 n GLU 107 Ca 0.00 0.30 -0.18 0.00 0.66 0.00 0.00 57.16 57.94 1q80 n GLU 107 Cb 0.50 -3.69 -0.14 0.00 0.27 0.00 0.00 31.44 28.38 1q80 n GLU 107 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1q80 h ASP 108 N -0.81 0.32 0.00 4.31 1.82 -1.97 -3.49 116.42 116.60 1q80 h ASP 108 Ca -0.20 -0.67 0.00 0.00 -0.39 0.00 0.00 57.03 55.76 1q80 h ASP 108 Cb 1.13 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.03 1q80 h ASP 108 CO 0.19 1.60 0.00 -3.20 -1.61 0.00 0.00 179.24 176.22 1q80 n ASN 109 N -3.37 0.00 -3.79 2.28 5.15 -1.26 -5.12 115.26 109.15 1q80 n ASN 109 Ca -0.26 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.58 1q80 n ASN 109 Cb 1.05 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 40.15 1q80 n ASN 109 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1q80 s ASN 110 N -2.00 -0.01 -0.21 1.20 0.01 -1.26 -4.44 114.94 108.23 1q80 s ASN 110 Ca 0.00 0.12 -0.10 0.00 -0.71 0.00 0.00 52.86 52.17 1q80 s ASN 110 Cb 0.00 0.04 -0.05 0.00 0.41 0.00 0.00 41.25 41.65 1q80 s ASN 110 CO 0.00 -0.11 0.14 -0.63 -1.51 0.00 0.00 177.10 175.00 1q80 s ILE 111 N 0.84 5.39 0.50 0.60 1.01 -0.70 -4.85 121.20 124.00 1q80 s ILE 111 Ca -0.07 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.79 1q80 s ILE 111 Cb -0.09 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.91 1q80 s ILE 111 CO -0.03 0.41 0.73 -0.94 0.00 0.00 0.00 174.94 175.10 1q80 s SER 112 N 0.59 5.52 0.18 3.58 1.04 -1.26 -0.78 113.70 122.57 1q80 s SER 112 Ca 0.08 0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.47 1q80 s SER 112 Cb -0.12 -1.14 0.18 0.00 0.10 0.00 0.00 66.02 65.04 1q80 s SER 112 CO 0.00 -0.95 1.68 0.08 0.98 0.00 0.00 173.24 175.04 1q80 h ARG 113 N 0.22 0.11 -0.36 4.02 0.11 -2.00 -1.63 114.38 114.86 1q80 h ARG 113 Ca -0.44 -0.01 -0.13 0.00 0.10 0.00 0.00 59.98 59.51 1q80 h ARG 113 Cb 1.28 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 1q80 h ARG 113 CO 0.54 0.07 -0.29 -0.44 0.10 0.00 0.00 179.97 179.95 1q80 h ASP 114 N 0.11 0.79 -0.46 0.08 3.32 -1.96 -1.52 116.42 116.78 1q80 h ASP 114 Ca 0.24 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1q80 h ASP 114 Cb 0.36 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1q80 h ASP 114 CO -0.41 1.03 0.29 -0.33 -1.72 0.00 0.00 179.24 178.10 1q80 h GLU 115 N 0.65 0.62 -0.85 3.56 5.08 -1.85 0.33 114.58 122.11 1q80 h GLU 115 Ca 0.08 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1q80 h GLU 115 Cb 0.82 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1q80 h GLU 115 CO 0.07 0.43 0.48 -0.92 -1.00 0.00 0.00 179.01 178.07 1q80 h TYR 116 N 0.62 1.15 -0.25 4.33 3.20 -1.24 -1.55 116.97 123.22 1q80 h TYR 116 Ca 0.17 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1q80 h TYR 116 Cb -0.03 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 37.85 1q80 h TYR 116 CO -0.04 0.79 0.13 0.78 -1.64 0.00 0.00 178.16 178.18 1q80 h GLY 117 N 1.20 0.38 1.02 1.82 0.00 -0.83 -1.55 103.07 105.12 1q80 h GLY 117 Ca 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 1q80 h GLY 117 CO -0.05 0.17 0.35 -2.22 0.00 0.00 0.00 176.54 174.79 1q80 h ILE 118 N 0.28 1.24 -0.18 2.60 5.03 -0.84 -1.15 117.51 124.49 1q80 h ILE 118 Ca 0.09 -0.70 0.05 0.00 -0.12 0.00 0.00 64.86 64.18 1q80 h ILE 118 Cb 0.09 0.31 -0.05 0.00 -3.03 0.00 0.00 36.82 34.15 1q80 h ILE 118 CO -0.01 0.29 -0.12 0.15 -0.68 0.00 0.00 178.15 177.78 1q80 h PHE 119 N 1.06 -0.29 0.15 1.37 3.57 -1.19 -1.39 116.94 120.22 1q80 h PHE 119 Ca 0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1q80 h PHE 119 Cb 0.13 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1q80 h PHE 119 CO 0.01 -0.18 -0.13 0.74 -2.23 0.00 0.00 178.31 176.52 1q80 h PHE 120 N -0.11 -0.35 -0.72 0.41 -1.00 -1.06 -2.56 116.94 111.55 1q80 h PHE 120 Ca 0.11 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.99 1q80 h PHE 120 Cb 0.27 0.13 -0.07 0.00 3.61 0.00 0.00 35.95 39.89 1q80 h PHE 120 CO -0.26 -0.21 0.35 0.78 -1.61 0.00 0.00 178.31 177.36 1q80 h GLY 121 N -0.30 1.08 0.96 -1.45 0.00 -1.08 -2.28 103.07 100.00 1q80 h GLY 121 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1q80 h GLY 121 CO -0.03 0.04 0.18 -0.33 0.00 0.00 0.00 176.54 176.40 1q80 h MET 122 N 0.58 0.71 0.00 4.80 2.86 -1.18 -3.03 114.93 119.67 1q80 h MET 122 Ca 0.36 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1q80 h MET 122 Cb 0.41 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1q80 h MET 122 CO -0.29 0.65 0.00 1.28 1.06 0.00 0.00 176.91 179.61 1q80 n LEU 123 N -4.57 0.28 -0.14 1.22 4.77 -0.97 -4.91 117.00 112.68 1q80 n LEU 123 Ca 0.01 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1q80 n LEU 123 Cb 0.16 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1q80 n LEU 123 CO 0.38 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 1q80 n GLY 124 N -0.30 0.95 3.54 -0.72 0.00 -1.14 -4.98 105.19 102.54 1q80 n GLY 124 Ca 0.02 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.27 2.74 -0.57 0.99 1.02 -0.87 -5.05 118.68 116.67 1q80 s LEU 125 Ca 0.00 -1.13 -0.28 0.00 0.02 0.00 0.00 54.13 52.74 1q80 s LEU 125 Cb 0.00 -1.08 0.02 0.00 0.02 0.00 0.00 46.19 45.15 1q80 s LEU 125 CO 0.00 -0.15 1.32 -0.62 0.02 0.00 0.00 176.35 176.93 1q80 s ASP 126 N -3.60 6.26 0.67 2.29 -1.08 -1.26 -4.17 116.67 115.78 1q80 s ASP 126 Ca 0.32 0.20 0.36 0.00 -0.52 0.00 0.00 52.55 52.91 1q80 s ASP 126 Cb 0.00 -2.55 1.94 0.00 -1.46 0.00 0.00 42.92 40.85 1q80 s ASP 126 CO 0.17 -1.62 2.09 0.07 0.52 0.00 0.00 175.17 176.40 1q80 h LYS 127 N 10.42 0.00 0.00 4.34 -0.00 -1.86 -1.66 116.57 127.80 1q80 h LYS 127 Ca -0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.39 1q80 h LYS 127 Cb 1.08 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.31 1q80 h LYS 127 CO 1.18 0.00 -0.01 1.79 -0.00 0.00 0.00 179.45 182.41 1q80 h THR 128 N 0.00 0.20 0.00 0.07 1.35 -1.94 -2.22 112.91 110.36 1q80 h THR 128 Ca 0.00 -0.07 -0.06 0.00 -0.55 0.00 0.00 66.41 65.73 1q80 h THR 128 Cb 0.42 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1q80 h THR 128 CO -0.00 0.01 -0.29 -0.03 -0.25 0.00 0.00 175.52 174.96 1q80 h MET 129 N 0.00 0.00 -0.15 4.72 1.85 -1.71 -3.38 114.93 116.26 1q80 h MET 129 Ca -0.00 0.00 0.03 0.00 -0.61 0.00 0.00 59.70 59.12 1q80 h MET 129 Cb 0.05 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.05 1q80 h MET 129 CO 0.00 0.29 -0.06 0.00 -0.40 0.00 0.00 176.91 176.74 1q80 h ALA 130 N 1.71 0.06 -0.46 0.39 0.00 -1.58 -2.26 119.26 117.12 1q80 h ALA 130 Ca -0.00 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1q80 h ALA 130 Cb 0.95 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1q80 h ALA 130 CO 0.04 -0.51 0.03 -1.35 0.00 0.00 0.00 179.25 177.46 1q80 h PRO 131 N -0.05 0.14 -0.56 0.00 0.11 -1.76 0.12 132.00 130.00 1q80 h PRO 131 Ca 0.08 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.13 1q80 h PRO 131 Cb 0.17 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 1q80 h PRO 131 CO -0.18 0.09 0.14 0.00 -0.21 0.00 0.00 178.00 177.85 1q80 h ALA 132 N 1.39 1.20 -0.06 -0.75 0.00 -1.79 -1.40 119.26 117.85 1q80 h ALA 132 Ca 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1q80 h ALA 132 Cb 0.33 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1q80 h ALA 132 CO -0.36 0.55 -0.03 0.77 0.00 0.00 0.00 179.25 180.18 1q80 h SER 133 N 0.82 0.13 -0.43 0.00 0.02 -1.07 -3.22 113.55 109.80 1q80 h SER 133 Ca 0.18 -0.42 0.07 0.00 -0.84 0.00 0.00 61.79 60.78 1q80 h SER 133 Cb 0.29 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.73 1q80 h SER 133 CO -0.00 0.52 0.07 0.15 -1.14 0.00 0.00 176.83 176.43 1q80 h PHE 134 N -0.27 0.11 -0.93 3.45 3.04 -0.72 -2.80 116.94 118.83 1q80 h PHE 134 Ca 0.01 0.03 0.19 0.00 3.98 0.00 0.00 57.97 62.18 1q80 h PHE 134 Cb 0.47 0.01 -0.11 0.00 2.56 0.00 0.00 35.95 38.89 1q80 h PHE 134 CO 0.07 -0.01 0.51 0.22 -2.02 0.00 0.00 178.31 177.08 1q80 h ASP 135 N 0.20 0.61 0.59 0.41 3.58 -1.32 -1.24 116.42 119.25 1q80 h ASP 135 Ca 0.21 0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.71 1q80 h ASP 135 Cb 0.27 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1q80 h ASP 135 CO -0.29 0.19 -0.29 0.00 -2.88 0.00 0.00 179.24 175.97 1q80 h ALA 136 N 1.64 1.18 0.18 -0.78 0.00 -1.51 -3.30 119.26 116.67 1q80 h ALA 136 Ca 0.54 -0.26 -0.35 0.00 0.00 0.00 0.00 54.91 54.84 1q80 h ALA 136 Cb 0.87 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1q80 h ALA 136 CO -0.41 0.36 -1.78 0.82 0.00 0.00 0.00 179.25 178.24 1q80 h ILE 137 N 0.00 0.90 -0.13 0.00 2.04 -1.27 -3.45 117.51 115.61 1q80 h ILE 137 Ca -0.00 -2.50 -0.32 0.00 1.00 0.00 0.00 64.86 63.04 1q80 h ILE 137 Cb 0.66 2.74 0.04 0.00 -0.74 0.00 0.00 36.82 39.52 1q80 h ILE 137 CO 0.04 0.86 0.93 -0.67 0.00 0.00 0.00 178.15 179.32 1q80 n ASP 138 N -3.58 1.80 -0.12 1.72 2.03 -0.56 -4.77 116.55 113.06 1q80 n ASP 138 Ca -0.25 -2.57 0.02 0.00 0.52 0.00 0.00 54.79 52.51 1q80 n ASP 138 Cb 1.07 -1.32 0.31 0.00 -0.72 0.00 0.00 41.12 40.47 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 5.81 1.16 0.00 5.18 2.02 -1.87 -2.32 112.91 122.89 1q80 h THR 139 Ca 0.18 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1q80 h THR 139 Cb 0.86 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1q80 h THR 139 CO 1.47 0.16 0.00 -0.55 0.37 0.00 0.00 175.52 176.97 1q80 h ASN 140 N 0.81 0.00 -6.67 4.18 7.08 -1.91 -3.48 115.58 115.59 1q80 h ASN 140 Ca 0.22 0.00 -0.54 0.00 -3.08 0.00 0.00 56.30 52.90 1q80 h ASN 140 Cb -0.06 0.00 -0.10 0.00 -2.08 0.00 0.00 38.32 36.08 1q80 h ASN 140 CO -0.04 0.00 -0.91 -0.46 -2.08 0.00 0.00 177.43 173.93 1q80 n ASN 141 N -3.07 0.02 -2.68 6.14 0.23 -0.88 -4.95 115.26 110.08 1q80 n ASN 141 Ca 0.01 -1.09 -0.08 0.00 -0.53 0.00 0.00 54.58 52.88 1q80 n ASN 141 Cb 0.30 -2.61 0.03 0.00 -2.08 0.00 0.00 39.78 35.42 1q80 n ASN 141 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1q80 n ASP 142 N -2.95 1.79 0.00 0.53 -0.08 -1.26 -5.08 116.55 109.50 1q80 n ASP 142 Ca -0.32 -2.62 0.00 0.00 -1.51 0.00 0.00 54.79 50.34 1q80 n ASP 142 Cb 0.69 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.64 1q80 n ASP 142 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q80 n GLY 143 N -0.25 2.97 3.19 0.27 0.00 -1.26 -4.85 105.19 105.26 1q80 n GLY 143 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 2.12 -0.33 0.99 2.01 -1.26 -4.09 118.68 118.11 1q80 s LEU 144 Ca 0.00 -0.42 -0.13 0.00 0.01 0.00 0.00 54.13 53.59 1q80 s LEU 144 Cb 0.00 -0.85 -0.02 0.00 0.01 0.00 0.00 46.19 45.33 1q80 s LEU 144 CO 0.00 0.15 0.24 -0.76 1.01 0.00 0.00 176.35 176.99 1q80 s LEU 145 N -0.86 4.45 0.89 1.79 1.43 0.04 -4.88 118.68 121.53 1q80 s LEU 145 Ca 0.06 -0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 1q80 s LEU 145 Cb -0.08 -2.15 0.15 0.00 0.03 0.00 0.00 46.19 44.15 1q80 s LEU 145 CO 0.01 -0.22 1.25 -0.94 0.23 0.00 0.00 176.35 176.68 1q80 s SER 146 N 1.73 3.72 0.16 2.29 1.04 -1.26 -1.72 113.70 119.66 1q80 s SER 146 Ca 0.06 0.43 -0.16 0.00 0.48 0.00 0.00 55.95 56.76 1q80 s SER 146 Cb -0.17 -0.67 0.09 0.00 0.10 0.00 0.00 66.02 65.37 1q80 s SER 146 CO 0.11 -2.36 1.73 0.25 0.98 0.00 0.00 173.24 173.95 1q80 h LEU 147 N -1.35 0.02 -0.44 2.42 5.85 -1.99 -2.63 115.31 117.19 1q80 h LEU 147 Ca -0.45 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.42 1q80 h LEU 147 Cb 1.27 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.30 1q80 h LEU 147 CO 0.49 0.05 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.52 1q80 h GLU 148 N 0.21 0.07 0.31 1.25 4.57 -1.98 0.08 114.58 119.09 1q80 h GLU 148 Ca 0.18 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1q80 h GLU 148 Cb 0.20 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1q80 h GLU 148 CO -0.23 0.05 -0.18 0.93 -1.18 0.00 0.00 179.01 178.39 1q80 h GLU 149 N 0.07 -0.46 -0.62 1.92 3.07 -1.83 -0.36 114.58 116.37 1q80 h GLU 149 Ca 0.22 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.13 1q80 h GLU 149 Cb 0.33 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 1q80 h GLU 149 CO -0.40 -0.30 0.39 0.35 -1.40 0.00 0.00 179.01 177.65 1q80 h PHE 150 N -0.47 0.73 -0.40 4.33 3.04 -1.30 -1.80 116.94 121.07 1q80 h PHE 150 Ca -0.03 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1q80 h PHE 150 Cb 0.39 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 1q80 h PHE 150 CO -0.08 0.43 0.03 0.28 -2.02 0.00 0.00 178.31 176.95 1q80 h VAL 151 N 0.77 1.25 0.77 1.41 2.07 -0.91 -0.97 116.25 120.64 1q80 h VAL 151 Ca 0.24 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 1q80 h VAL 151 Cb -0.01 1.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1q80 h VAL 151 CO -0.09 0.32 -0.37 0.40 0.02 0.00 0.00 177.57 177.85 1q80 h ILE 152 N 0.52 0.15 -1.00 4.57 1.08 -0.94 -0.75 117.51 121.15 1q80 h ILE 152 Ca 0.12 -0.15 0.05 0.00 -0.39 0.00 0.00 64.86 64.49 1q80 h ILE 152 Cb 0.42 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 34.29 1q80 h ILE 152 CO 0.01 0.01 0.65 0.00 -0.69 0.00 0.00 178.15 178.13 1q80 h ALA 153 N -1.02 1.39 -0.52 1.87 0.00 -1.42 -1.62 119.26 117.94 1q80 h ALA 153 Ca -0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1q80 h ALA 153 Cb 0.81 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1q80 h ALA 153 CO 0.17 0.48 0.11 0.78 0.00 0.00 0.00 179.25 180.79 1q80 h GLY 154 N 1.20 0.91 0.96 0.00 0.00 -1.17 -1.55 103.07 103.41 1q80 h GLY 154 Ca 0.42 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1q80 h GLY 154 CO -0.15 0.54 0.37 1.48 0.00 0.00 0.00 176.54 178.78 1q80 h SER 155 N 0.73 0.63 -0.12 0.19 4.64 -0.78 -0.69 113.55 118.14 1q80 h SER 155 Ca 0.16 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1q80 h SER 155 Cb 0.36 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1q80 h SER 155 CO 0.00 0.45 0.06 -0.78 -0.87 0.00 0.00 176.83 175.69 1q80 h ASP 156 N 0.75 0.16 -0.20 4.97 3.58 -1.26 -1.43 116.42 123.00 1q80 h ASP 156 Ca 0.22 -0.13 0.04 0.00 0.42 0.00 0.00 57.03 57.58 1q80 h ASP 156 Cb -0.05 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 40.92 1q80 h ASP 156 CO -0.07 0.25 -0.04 0.15 -2.88 0.00 0.00 179.24 176.66 1q80 h PHE 157 N 0.07 -0.08 0.00 0.28 3.04 -1.18 -0.97 116.94 118.11 1q80 h PHE 157 Ca 0.04 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.92 1q80 h PHE 157 Cb 0.13 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1q80 h PHE 157 CO -0.03 -0.07 -0.40 0.74 -2.02 0.00 0.00 178.31 176.53 1q80 h PHE 158 N 0.02 0.00 0.00 0.41 0.04 -1.07 -3.41 116.94 112.92 1q80 h PHE 158 Ca 0.10 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1q80 h PHE 158 Cb 0.14 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.29 1q80 h PHE 158 CO -0.20 0.40 -1.03 -1.33 -0.60 0.00 0.00 178.31 175.55 1q80 n MET 159 N -4.04 0.61 -3.31 1.51 2.81 -0.54 -5.00 117.12 109.16 1q80 n MET 159 Ca -0.02 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.56 1q80 n MET 159 Cb 0.44 -1.01 -0.05 0.00 -0.71 0.00 0.00 33.22 31.88 1q80 n MET 159 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1q80 s ASN 160 N -3.91 6.63 0.00 7.83 0.01 -0.37 -5.05 114.94 120.08 1q80 s ASN 160 Ca -0.01 0.99 0.00 0.00 -0.71 0.00 0.00 52.86 53.13 1q80 s ASN 160 Cb 0.00 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.41 1q80 s ASN 160 CO 0.01 -0.14 0.00 0.47 -1.51 0.00 0.00 177.10 175.93 1q80 n ASP 161 N -0.37 0.00 0.00 -1.22 8.00 -1.26 -4.68 116.55 117.03 1q80 n ASP 161 Ca 0.01 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1q80 n ASP 161 Cb 0.53 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 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 2.15 0.86 0.00 0.44 0.00 -1.26 -4.89 105.19 102.49 1q80 n GLY 162 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.61 0.00 0.00 1.61 2.03 -1.26 -5.08 116.55 110.25 1q80 n ASP 163 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1q80 n ASP 163 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1q80 n ASP 163 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1q80 n SER 164 N 0.00 0.00 -0.73 1.67 7.64 -1.26 -4.71 113.62 116.23 1q80 n SER 164 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1q80 n SER 164 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1q80 n SER 164 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1q80 n THR 165 N 0.00 0.00 0.00 0.44 -2.24 -1.26 -4.90 114.28 106.32 1q80 n THR 165 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1q80 n THR 165 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1q80 n THR 165 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1q80 n ASN 166 N -1.05 0.00 0.24 3.42 6.94 -1.26 -4.77 115.26 118.77 1q80 n ASN 166 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.67 1q80 n ASN 166 Cb 0.00 -0.93 0.58 0.00 -2.36 0.00 0.00 39.78 37.06 1q80 n ASN 166 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 1q80 h LYS 167 N 0.54 0.00 -4.50 -3.83 2.10 -1.90 -3.26 116.57 105.71 1q80 h LYS 167 Ca 0.00 0.00 -0.74 0.00 -2.00 0.00 0.00 60.65 57.91 1q80 h LYS 167 Cb 0.00 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 31.15 1q80 h LYS 167 CO 0.00 0.19 1.46 1.33 -2.00 0.00 0.00 179.45 180.43 1q80 n VAL 168 N -3.52 4.28 -0.10 0.07 0.24 -1.26 -4.68 118.33 113.36 1q80 n VAL 168 Ca -0.01 -4.69 -0.17 0.00 -2.04 0.00 0.00 64.34 57.43 1q80 n VAL 168 Cb 0.35 -2.45 -0.13 0.00 -1.47 0.00 0.00 33.84 30.14 1q80 n VAL 168 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1q80 n PHE 169 N 5.24 0.25 -1.74 6.34 -0.00 -1.23 -4.84 117.46 121.47 1q80 n PHE 169 Ca 0.37 0.06 -0.10 0.00 -0.00 0.00 0.00 57.45 57.78 1q80 n PHE 169 Cb 0.41 -1.03 0.12 0.00 -0.00 0.00 0.00 39.48 38.98 1q80 n PHE 169 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 1q80 n TRP 170 N -3.23 1.45 0.00 -5.13 7.02 -1.26 -5.07 117.44 111.22 1q80 n TRP 170 Ca -0.41 -1.89 0.00 0.00 -1.02 0.00 0.00 57.50 54.18 1q80 n TRP 170 Cb 1.02 -0.38 0.00 0.00 -2.42 0.00 0.00 31.31 29.53 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 -0.94 0.93 1.92 6.99 0.00 -1.26 -4.86 105.19 107.97 1q80 n GLY 171 Ca 0.34 -2.25 -0.07 0.00 0.00 0.00 0.00 46.02 44.03 1q80 n GLY 171 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1q80 n PRO 172 N -0.66 1.40 -2.13 1.61 -0.04 -1.26 -4.53 135.00 129.38 1q80 n PRO 172 Ca 0.00 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 1q80 n PRO 172 Cb 0.00 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 1q80 n PRO 172 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1q80 n LEU 173 N 2.26 -4.32 -0.20 1.53 4.77 -1.26 -5.13 117.00 114.65 1q80 n LEU 173 Ca 0.24 2.37 0.15 0.00 -0.03 0.00 0.00 56.01 58.74 1q80 n LEU 173 Cb 0.65 -2.67 0.77 0.00 -2.33 0.00 0.00 43.42 39.85 1q80 n LEU 173 CO 0.10 -2.10 1.01 0.55 -1.33 0.00 0.00 177.39 175.61