#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 -1.46 0.30 6.43 2.03 -1.99 -1.72 116.42 120.01 1q80 h ASP 2 Ca 0.00 0.16 -0.08 0.00 -0.73 0.00 0.00 57.03 56.38 1q80 h ASP 2 Cb 0.00 0.55 -0.01 0.00 -0.83 0.00 0.00 39.33 39.04 1q80 h ASP 2 CO 0.00 -0.48 -0.35 0.17 -1.03 0.00 0.00 179.24 177.55 1q80 h LEU 3 N -0.63 0.07 0.40 0.15 -0.00 -1.96 -0.55 115.31 112.79 1q80 h LEU 3 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 1q80 h LEU 3 Cb 0.66 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1q80 h LEU 3 CO -0.30 0.41 -0.19 -0.25 -0.00 0.00 0.00 178.44 178.12 1q80 h TRP 4 N 0.06 -0.50 0.30 0.17 7.01 -1.89 -0.14 115.95 120.96 1q80 h TRP 4 Ca 0.01 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1q80 h TRP 4 Cb 0.64 0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.84 1q80 h TRP 4 CO 0.00 -0.30 -0.34 0.28 -2.79 0.00 0.00 178.44 175.30 1q80 h VAL 5 N -1.14 0.30 -0.15 2.65 2.07 -1.39 -2.75 116.25 115.85 1q80 h VAL 5 Ca -0.06 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 1q80 h VAL 5 Cb 0.43 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1q80 h VAL 5 CO 0.09 0.00 -0.35 1.56 0.02 0.00 0.00 177.57 178.89 1q80 h GLN 6 N -0.68 0.32 -0.02 1.57 7.50 -1.26 -1.57 115.11 120.98 1q80 h GLN 6 Ca -0.01 -0.14 0.00 0.00 0.50 0.00 0.00 58.65 59.00 1q80 h GLN 6 Cb 0.63 -0.01 -0.00 0.00 0.05 0.00 0.00 27.48 28.15 1q80 h GLN 6 CO -0.09 0.63 0.01 1.57 -1.50 0.00 0.00 178.83 179.46 1q80 h LYS 7 N 0.27 0.02 -0.49 1.46 2.10 -0.86 0.19 116.57 119.27 1q80 h LYS 7 Ca 0.03 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.63 1q80 h LYS 7 Cb 0.75 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.06 1q80 h LYS 7 CO 0.06 0.04 0.13 0.52 -2.00 0.00 0.00 179.45 178.20 1q80 h MET 8 N 0.00 0.77 -0.83 0.07 2.86 -1.51 -1.75 114.93 114.53 1q80 h MET 8 Ca 0.01 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1q80 h MET 8 Cb 0.02 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 1q80 h MET 8 CO -0.00 0.75 0.49 0.87 1.06 0.00 0.00 176.91 180.08 1q80 h LYS 9 N 0.66 1.14 0.91 1.72 1.79 -1.18 -0.59 116.57 121.01 1q80 h LYS 9 Ca 0.15 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1q80 h LYS 9 Cb 0.32 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1q80 h LYS 9 CO 0.00 0.81 -0.49 1.15 -1.08 0.00 0.00 179.45 179.84 1q80 h THR 10 N 1.15 0.00 -0.59 -0.16 2.02 -0.44 -2.32 112.91 112.56 1q80 h THR 10 Ca 0.30 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.40 1q80 h THR 10 Cb -0.03 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.35 1q80 h THR 10 CO -0.05 0.00 0.05 0.22 0.37 0.00 0.00 175.52 176.11 1q80 h TYR 11 N -1.28 1.04 0.19 3.16 3.20 -1.36 -1.89 116.97 120.02 1q80 h TYR 11 Ca -0.12 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.59 1q80 h TYR 11 Cb 1.00 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.99 1q80 h TYR 11 CO -0.05 0.91 -0.09 0.35 -1.64 0.00 0.00 178.16 177.64 1q80 h PHE 12 N 0.91 -0.24 -0.77 -3.82 3.57 -1.14 -0.74 116.94 114.72 1q80 h PHE 12 Ca 0.18 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.71 1q80 h PHE 12 Cb 0.46 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 1q80 h PHE 12 CO 0.03 -0.09 0.48 -0.97 -2.23 0.00 0.00 178.31 175.53 1q80 h ASN 13 N -0.33 0.77 0.33 0.41 -0.00 -1.39 -1.76 115.58 113.62 1q80 h ASN 13 Ca -0.03 0.01 -0.17 0.00 -0.00 0.00 0.00 56.30 56.11 1q80 h ASN 13 Cb 0.26 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.41 1q80 h ASN 13 CO 0.04 0.52 -0.68 0.03 -0.00 0.00 0.00 177.43 177.34 1q80 h ARG 14 N 0.91 0.31 0.00 6.67 3.08 -1.30 -3.29 114.38 120.76 1q80 h ARG 14 Ca 0.32 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 1q80 h ARG 14 Cb 0.07 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1q80 h ARG 14 CO -0.13 0.88 -0.49 0.97 -1.07 0.00 0.00 179.97 180.13 1q80 h ILE 15 N 0.22 0.91 0.00 2.04 6.09 -1.02 -3.40 117.51 122.35 1q80 h ILE 15 Ca -0.02 -2.06 -0.62 0.00 -1.37 0.00 0.00 64.86 60.80 1q80 h ILE 15 Cb 1.23 2.29 0.05 0.00 0.47 0.00 0.00 36.82 40.85 1q80 h ILE 15 CO 0.11 0.48 2.33 -0.67 -3.07 0.00 0.00 178.15 177.33 1q80 n ASP 16 N -3.32 2.77 0.21 2.19 2.03 -0.67 -4.70 116.55 115.06 1q80 n ASP 16 Ca 0.01 -2.63 0.06 0.00 0.52 0.00 0.00 54.79 52.75 1q80 n ASP 16 Cb 0.67 -1.10 0.45 0.00 -0.72 0.00 0.00 41.12 40.42 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 7.71 0.00 0.00 -0.67 3.57 -1.78 -2.92 116.94 122.85 1q80 h PHE 17 Ca 0.43 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.93 1q80 h PHE 17 Cb 0.60 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1q80 h PHE 17 CO 1.33 0.30 0.00 0.22 -2.23 0.00 0.00 178.31 177.93 1q80 h ASP 18 N 0.00 0.00 0.00 0.41 1.82 -1.85 -3.47 116.42 113.33 1q80 h ASP 18 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1q80 h ASP 18 Cb 0.60 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.61 1q80 h ASP 18 CO 0.04 0.00 0.00 1.17 -1.61 0.00 0.00 179.24 178.84 1q80 n LYS 19 N -3.03 -0.53 0.21 0.28 0.00 -1.10 -4.96 118.16 109.03 1q80 n LYS 19 Ca 0.02 0.13 0.11 0.00 0.00 0.00 0.00 58.31 58.57 1q80 n LYS 19 Cb 0.35 -3.53 0.16 0.00 0.00 0.00 0.00 35.03 32.01 1q80 n LYS 19 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1q80 h ASP 20 N 0.00 0.00 0.00 3.14 1.82 -1.94 -3.48 116.42 115.96 1q80 h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1q80 h ASP 20 Cb 0.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.28 1q80 h ASP 20 CO 0.00 0.04 0.00 0.61 -1.61 0.00 0.00 179.24 178.28 1q80 n GLY 21 N 1.11 0.58 3.03 -0.78 0.00 -1.26 -5.10 105.19 102.77 1q80 n GLY 21 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 1.41 -0.10 4.61 0.00 -1.26 -4.14 121.76 120.28 1q80 s ALA 22 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 51.96 51.16 1q80 s ALA 22 Cb 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1q80 s ALA 22 CO 0.00 0.05 0.93 0.42 0.00 0.00 0.00 175.76 177.16 1q80 s ILE 23 N 0.79 4.84 0.33 0.00 1.09 -0.08 -4.53 121.20 123.65 1q80 s ILE 23 Ca -0.12 1.89 -0.06 0.00 -1.10 0.00 0.00 60.65 61.26 1q80 s ILE 23 Cb -0.16 -4.25 0.01 0.00 -1.06 0.00 0.00 42.46 37.01 1q80 s ILE 23 CO 0.02 0.05 0.51 0.28 -0.10 0.00 0.00 174.94 175.71 1q80 s THR 24 N 1.81 0.00 0.53 2.92 -1.32 -1.26 -0.66 115.64 117.66 1q80 s THR 24 Ca 0.45 -1.50 0.25 0.00 -1.21 0.00 0.00 61.69 59.69 1q80 s THR 24 Cb -0.18 -2.61 0.39 0.00 -1.51 0.00 0.00 72.50 68.58 1q80 s THR 24 CO 0.18 0.00 2.00 -0.09 -2.21 0.00 0.00 174.62 174.50 1q80 h ARG 25 N 2.12 0.00 -0.68 7.08 2.43 -1.96 -2.54 114.38 120.83 1q80 h ARG 25 Ca -0.29 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 1q80 h ARG 25 Cb 1.24 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 1q80 h ARG 25 CO 0.39 0.00 0.38 1.98 -1.51 0.00 0.00 179.97 181.20 1q80 h MET 26 N 0.00 0.94 -0.40 0.20 4.05 -1.97 -1.49 114.93 116.26 1q80 h MET 26 Ca 0.24 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 1q80 h MET 26 Cb 0.95 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.54 1q80 h MET 26 CO -0.00 0.69 0.17 0.38 0.23 0.00 0.00 176.91 178.37 1q80 h ASP 27 N 0.95 0.54 -0.19 1.39 3.04 -1.79 -0.71 116.42 119.64 1q80 h ASP 27 Ca 0.24 -0.16 -0.02 0.00 -3.24 0.00 0.00 57.03 53.86 1q80 h ASP 27 Cb 0.02 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 38.16 1q80 h ASP 27 CO -0.04 0.55 0.04 -0.26 -2.04 0.00 0.00 179.24 177.49 1q80 h PHE 28 N 0.50 0.33 -0.60 4.15 0.04 -1.62 0.11 116.94 119.85 1q80 h PHE 28 Ca 0.13 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.88 1q80 h PHE 28 Cb 0.17 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.19 1q80 h PHE 28 CO -0.00 0.45 0.38 0.93 -0.60 0.00 0.00 178.31 179.46 1q80 h GLU 29 N 0.12 0.73 0.22 1.51 5.08 -1.29 -1.54 114.58 119.42 1q80 h GLU 29 Ca 0.06 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1q80 h GLU 29 Cb 0.29 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1q80 h GLU 29 CO 0.00 0.48 -0.11 0.77 -1.00 0.00 0.00 179.01 179.16 1q80 h SER 30 N 0.75 -0.26 -0.42 1.42 0.02 -1.03 -1.24 113.55 112.80 1q80 h SER 30 Ca 0.24 -0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.20 1q80 h SER 30 Cb -0.01 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.53 1q80 h SER 30 CO -0.09 -0.09 -0.00 -0.03 -1.14 0.00 0.00 176.83 175.48 1q80 h MET 31 N -0.40 0.10 -0.41 3.45 1.85 -0.69 0.12 114.93 118.94 1q80 h MET 31 Ca -0.03 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.04 1q80 h MET 31 Cb 0.31 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 1q80 h MET 31 CO 0.05 0.07 0.19 0.00 -0.40 0.00 0.00 176.91 176.82 1q80 h ALA 32 N 1.37 0.53 0.29 0.39 0.00 -1.27 -1.23 119.26 119.34 1q80 h ALA 32 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1q80 h ALA 32 Cb 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1q80 h ALA 32 CO -0.35 0.11 -0.14 1.49 0.00 0.00 0.00 179.25 180.36 1q80 h GLU 33 N 0.52 -0.37 -0.64 0.00 4.22 -0.91 -0.69 114.58 116.71 1q80 h GLU 33 Ca 0.14 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.63 1q80 h GLU 33 Cb 0.14 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1q80 h GLU 33 CO -0.02 -0.14 0.40 0.00 -2.18 0.00 0.00 179.01 177.08 1q80 h ARG 34 N -0.55 0.78 -0.20 1.92 -0.00 -0.82 -0.07 114.38 115.44 1q80 h ARG 34 Ca -0.04 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.98 59.38 1q80 h ARG 34 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 30.19 1q80 h ARG 34 CO 0.06 0.52 0.07 0.35 0.00 0.00 0.00 179.97 180.98 1q80 h PHE 35 N 0.80 0.31 -0.60 3.04 3.04 -1.24 -0.59 116.94 121.71 1q80 h PHE 35 Ca 0.25 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.18 1q80 h PHE 35 Cb -0.02 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.37 1q80 h PHE 35 CO -0.04 0.37 0.40 0.00 -2.02 0.00 0.00 178.31 177.02 1q80 h ALA 36 N 0.91 0.77 0.02 2.41 0.00 -0.91 -1.37 119.26 121.08 1q80 h ALA 36 Ca 0.07 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1q80 h ALA 36 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1q80 h ALA 36 CO -0.00 0.19 -0.98 -0.22 0.00 0.00 0.00 179.25 178.24 1q80 h LYS 37 N 0.81 0.07 0.00 0.00 3.11 -1.02 -3.39 116.57 116.15 1q80 h LYS 37 Ca 0.22 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 1q80 h LYS 37 Cb -0.08 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 1q80 h LYS 37 CO -0.05 0.99 -1.18 0.39 -2.81 0.00 0.00 179.45 176.79 1q80 n GLU 38 N -3.47 0.94 -4.22 1.90 1.02 -0.23 -5.04 120.64 111.55 1q80 n GLU 38 Ca -0.02 -0.06 -0.26 0.00 -0.02 0.00 0.00 57.16 56.80 1q80 n GLU 38 Cb 0.90 -1.37 -0.07 0.00 -0.02 0.00 0.00 31.44 30.88 1q80 n GLU 38 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1q80 s SER 39 N -3.16 4.36 -0.13 1.62 0.01 -0.52 -5.05 113.70 110.84 1q80 s SER 39 Ca 0.02 -1.20 -0.00 0.00 1.31 0.00 0.00 55.95 56.08 1q80 s SER 39 Cb 0.13 -0.24 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 1q80 s SER 39 CO 0.74 -0.64 -0.11 -0.70 0.41 0.00 0.00 173.24 172.93 1q80 s GLU 40 N -3.93 3.34 -0.19 12.44 -6.30 -1.26 -4.82 118.70 117.98 1q80 s GLU 40 Ca 0.35 -0.65 -0.17 0.00 -2.50 0.00 0.00 54.97 52.01 1q80 s GLU 40 Cb 0.03 -2.66 0.05 0.00 0.00 0.00 0.00 34.13 31.55 1q80 s GLU 40 CO 0.20 0.27 0.50 0.00 0.02 0.00 0.00 175.26 176.24 1q80 s MET 41 N 0.22 0.57 0.19 4.30 0.23 -1.26 -4.85 119.30 118.69 1q80 s MET 41 Ca -0.07 0.71 0.03 0.00 -1.03 0.00 0.00 55.69 55.33 1q80 s MET 41 Cb -0.15 0.26 0.03 0.00 -1.53 0.00 0.00 34.83 33.43 1q80 s MET 41 CO 0.05 -0.08 0.24 1.63 -2.03 0.00 0.00 175.02 174.83 1q80 n LYS 42 N 2.96 0.91 0.00 3.16 5.02 -0.79 -4.79 118.16 124.64 1q80 n LYS 42 Ca -0.14 -1.02 0.00 0.00 -2.02 0.00 0.00 58.31 55.13 1q80 n LYS 42 Cb 0.57 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1q80 n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q80 n ALA 43 N -2.77 0.00 -0.07 7.82 0.00 -1.26 -1.03 120.51 123.20 1q80 n ALA 43 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.41 1q80 n ALA 43 Cb 0.19 0.04 0.33 0.00 0.00 0.00 0.00 19.45 20.01 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 0.68 -1.44 0.00 4.81 -1.98 -3.48 114.58 113.17 1q80 h GLU 44 Ca 0.00 -0.07 0.49 0.00 -0.13 0.00 0.00 59.36 59.65 1q80 h GLU 44 Cb 0.00 -0.14 -0.14 0.00 0.63 0.00 0.00 28.75 29.11 1q80 h GLU 44 CO 0.00 0.51 0.94 0.72 -0.73 0.00 0.00 179.01 180.45 1q80 n HIS 45 N -4.40 0.65 -0.07 0.92 8.25 -0.20 -4.29 115.22 116.08 1q80 n HIS 45 Ca 0.04 0.66 -0.09 0.00 -0.26 0.00 0.00 57.72 58.06 1q80 n HIS 45 Cb 0.11 -1.10 -0.02 0.00 1.12 0.00 0.00 29.99 30.09 1q80 n HIS 45 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q80 h ALA 46 N 1.55 0.33 -0.55 -1.41 0.00 -1.87 -1.16 119.26 116.15 1q80 h ALA 46 Ca 0.89 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.71 1q80 h ALA 46 Cb 2.94 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 20.62 1q80 h ALA 46 CO -0.43 -0.21 0.02 1.57 0.00 0.00 0.00 179.25 180.20 1q80 h LYS 47 N 0.34 0.96 -0.60 0.00 5.09 -1.94 -2.90 116.57 117.52 1q80 h LYS 47 Ca 0.10 -0.29 0.08 0.00 0.09 0.00 0.00 60.65 60.62 1q80 h LYS 47 Cb -0.03 -0.09 -0.06 0.00 0.10 0.00 0.00 32.23 32.14 1q80 h LYS 47 CO -0.03 0.96 0.27 0.28 -2.09 0.00 0.00 179.45 178.83 1q80 h VAL 48 N 0.84 0.85 0.72 0.07 2.07 -1.80 0.37 116.25 119.37 1q80 h VAL 48 Ca 0.16 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1q80 h VAL 48 Cb 0.51 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1q80 h VAL 48 CO 0.02 0.09 -0.50 0.25 0.02 0.00 0.00 177.57 177.45 1q80 h LEU 49 N 0.48 -1.31 -1.14 2.57 5.85 -1.16 -0.10 115.31 120.51 1q80 h LEU 49 Ca 0.29 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.19 1q80 h LEU 49 Cb 0.29 0.40 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 1q80 h LEU 49 CO -0.25 -0.74 0.60 -0.03 -0.34 0.00 0.00 178.44 177.68 1q80 h MET 50 N -1.16 0.92 -0.19 1.25 4.05 -1.29 -1.70 114.93 116.79 1q80 h MET 50 Ca -0.09 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.25 1q80 h MET 50 Cb 0.95 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 1q80 h MET 50 CO 0.06 0.61 0.04 -0.44 0.23 0.00 0.00 176.91 177.40 1q80 h ASP 51 N 0.94 0.30 -0.02 1.39 5.19 -0.83 -1.64 116.42 121.75 1q80 h ASP 51 Ca 0.43 -0.25 -0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1q80 h ASP 51 Cb 0.40 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 1q80 h ASP 51 CO -0.19 0.47 0.00 0.28 -3.12 0.00 0.00 179.24 176.68 1q80 h SER 52 N 0.12 0.02 -0.29 6.45 0.02 -0.65 -0.39 113.55 118.83 1q80 h SER 52 Ca 0.06 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1q80 h SER 52 Cb 0.29 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1q80 h SER 52 CO 0.00 0.27 0.11 -0.07 -1.14 0.00 0.00 176.83 176.00 1q80 h LEU 53 N -0.22 0.40 -0.67 5.07 4.07 -1.38 0.17 115.31 122.75 1q80 h LEU 53 Ca 0.00 -0.17 -0.09 0.00 0.08 0.00 0.00 57.88 57.71 1q80 h LEU 53 Cb 0.25 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1q80 h LEU 53 CO 0.00 0.46 0.04 0.71 -1.08 0.00 0.00 178.44 178.58 1q80 h THR 54 N 0.32 1.26 -0.38 0.22 1.35 -1.39 -2.96 112.91 111.34 1q80 h THR 54 Ca 0.10 -1.10 -0.01 0.00 -0.55 0.00 0.00 66.41 64.84 1q80 h THR 54 Cb 0.19 0.73 -0.02 0.00 -1.73 0.00 0.00 68.15 67.32 1q80 h THR 54 CO -0.01 0.41 0.18 1.23 -0.25 0.00 0.00 175.52 177.08 1q80 h GLY 55 N 1.02 0.59 0.41 5.82 0.00 -0.70 -1.17 103.07 109.03 1q80 h GLY 55 Ca 0.18 -0.29 0.07 0.00 0.00 0.00 0.00 47.33 47.29 1q80 h GLY 55 CO 0.02 0.28 0.01 -2.08 0.00 0.00 0.00 176.54 174.77 1q80 h VAL 56 N 0.48 0.72 0.62 4.60 2.07 -0.69 -0.98 116.25 123.07 1q80 h VAL 56 Ca 0.13 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1q80 h VAL 56 Cb 0.12 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1q80 h VAL 56 CO -0.02 0.02 -0.30 -0.25 0.02 0.00 0.00 177.57 177.05 1q80 h TRP 57 N 0.11 -0.77 -0.76 1.57 2.91 -1.47 -2.70 115.95 114.84 1q80 h TRP 57 Ca 0.18 -0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.26 1q80 h TRP 57 Cb 0.26 0.26 -0.06 0.00 -0.51 0.00 0.00 29.16 29.10 1q80 h TRP 57 CO -0.25 -0.48 0.43 -0.44 -1.03 0.00 0.00 178.44 176.67 1q80 h ASP 58 N -1.21 0.63 1.03 2.65 3.32 -1.16 -0.26 116.42 121.42 1q80 h ASP 58 Ca -0.09 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1q80 h ASP 58 Cb 0.64 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1q80 h ASP 58 CO 0.14 0.38 -0.87 0.78 -1.72 0.00 0.00 179.24 177.95 1q80 h ASN 59 N 0.76 0.00 0.00 6.45 2.35 -1.35 -3.42 115.58 120.36 1q80 h ASN 59 Ca 0.35 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1q80 h ASN 59 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1q80 h ASN 59 CO -0.22 0.02 0.00 0.49 -1.65 0.00 0.00 177.43 176.08 1q80 n PHE 60 N -2.60 -0.73 0.43 1.19 3.72 -1.13 -4.92 117.46 113.42 1q80 n PHE 60 Ca 0.01 0.13 0.12 0.00 -0.05 0.00 0.00 57.45 57.66 1q80 n PHE 60 Cb 0.53 0.27 0.48 0.00 -0.94 0.00 0.00 39.48 39.82 1q80 n PHE 60 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1q80 n LEU 61 N -3.07 0.72 0.25 4.37 7.94 -1.03 -3.67 117.00 122.50 1q80 n LEU 61 Ca 0.00 0.66 0.09 0.00 -1.11 0.00 0.00 56.01 55.65 1q80 n LEU 61 Cb 0.00 -0.54 0.65 0.00 0.53 0.00 0.00 43.42 44.07 1q80 n LEU 61 CO 0.00 -0.51 1.00 0.74 -1.11 0.00 0.00 177.39 177.51 1q80 h THR 62 N 0.00 0.89 0.00 1.96 2.02 -1.31 -3.16 112.91 113.30 1q80 h THR 62 Ca 0.00 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1q80 h THR 62 Cb 0.43 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1q80 h THR 62 CO 0.00 0.09 -0.04 0.00 0.37 0.00 0.00 175.52 175.94 1q80 h ALA 63 N 1.91 1.15 -3.00 6.16 0.00 -1.84 -2.94 119.26 120.70 1q80 h ALA 63 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1q80 h ALA 63 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1q80 h ALA 63 CO 0.01 0.05 0.00 0.28 0.00 0.00 0.00 179.25 179.59 1q80 n VAL 64 N -3.35 0.00 -2.25 0.00 0.31 -1.20 -4.43 118.33 107.41 1q80 n VAL 64 Ca -0.02 0.14 -0.32 0.00 -0.01 0.00 0.00 64.34 64.13 1q80 n VAL 64 Cb 0.17 -0.38 0.02 0.00 -0.91 0.00 0.00 33.84 32.73 1q80 n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q80 n ALA 65 N -2.73 5.66 0.00 3.52 0.00 -1.26 -4.65 120.51 121.04 1q80 n ALA 65 Ca 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 53.44 49.20 1q80 n ALA 65 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.51 2.11 0.00 0.00 0.00 -1.11 -3.26 105.19 102.43 1q80 n GLY 66 Ca 0.45 -0.02 0.00 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 0.00 0.18 3.76 -0.02 0.00 -1.26 -4.69 105.19 103.16 1q80 n GLY 67 Ca 0.00 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.00 4.46 0.00 1.61 1.02 -1.20 -4.33 119.74 120.30 1q80 s LYS 68 Ca 0.00 2.02 0.00 0.00 0.02 0.00 0.00 55.97 58.01 1q80 s LYS 68 Cb 0.00 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1q80 s LYS 68 CO 0.00 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1q80 n GLY 69 N 1.44 0.00 3.46 -3.33 0.00 -1.26 -4.49 105.19 101.01 1q80 n GLY 69 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1q80 n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q80 s ILE 70 N 0.00 5.25 1.02 -0.61 1.01 0.17 -4.79 121.20 123.25 1q80 s ILE 70 Ca 0.00 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.83 1q80 s ILE 70 Cb 0.00 -3.94 0.21 0.00 0.01 0.00 0.00 42.46 38.74 1q80 s ILE 70 CO 0.00 -0.32 1.20 -1.81 0.00 0.00 0.00 174.94 174.02 1q80 s ASP 71 N 1.70 2.53 0.16 3.58 1.01 -1.26 -0.91 116.67 123.48 1q80 s ASP 71 Ca 0.05 0.57 -0.20 0.00 0.71 0.00 0.00 52.55 53.69 1q80 s ASP 71 Cb -0.19 -0.82 0.06 0.00 1.01 0.00 0.00 42.92 42.98 1q80 s ASP 71 CO 0.10 -3.12 1.65 -0.08 0.21 0.00 0.00 175.17 173.93 1q80 h GLU 72 N -1.90 -0.12 -0.07 8.23 4.57 -1.98 -1.45 114.58 121.86 1q80 h GLU 72 Ca -0.46 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1q80 h GLU 72 Cb 1.28 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1q80 h GLU 72 CO 0.43 -0.08 0.03 1.79 -1.18 0.00 0.00 179.01 180.00 1q80 h THR 73 N -0.13 1.15 -0.48 0.32 1.35 -1.97 -1.99 112.91 111.15 1q80 h THR 73 Ca 0.16 -0.43 0.02 0.00 -0.55 0.00 0.00 66.41 65.61 1q80 h THR 73 Cb 0.38 1.31 -0.03 0.00 -1.73 0.00 0.00 68.15 68.08 1q80 h THR 73 CO -0.40 0.12 0.29 0.71 -0.25 0.00 0.00 175.52 176.00 1q80 h THR 74 N -0.06 1.07 0.31 6.82 1.35 -1.88 0.30 112.91 120.82 1q80 h THR 74 Ca 0.02 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.67 1q80 h THR 74 Cb 0.17 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 1q80 h THR 74 CO -0.00 0.11 -0.15 0.15 -0.25 0.00 0.00 175.52 175.38 1q80 h PHE 75 N 0.59 -0.39 -0.56 4.73 3.57 -1.30 -1.25 116.94 122.33 1q80 h PHE 75 Ca 0.19 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 1q80 h PHE 75 Cb -0.00 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1q80 h PHE 75 CO -0.06 -0.14 0.13 0.82 -2.23 0.00 0.00 178.31 176.83 1q80 h ILE 76 N -0.58 1.25 0.27 1.41 1.08 -1.33 -1.56 117.51 118.04 1q80 h ILE 76 Ca -0.04 -0.90 -0.01 0.00 -0.39 0.00 0.00 64.86 63.52 1q80 h ILE 76 Cb 0.43 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1q80 h ILE 76 CO 0.07 0.33 -0.13 -1.13 -0.69 0.00 0.00 178.15 176.60 1q80 h ASN 77 N 0.81 -0.31 -0.68 1.72 -1.24 -0.46 0.43 115.58 115.85 1q80 h ASN 77 Ca 0.18 -0.11 0.08 0.00 0.71 0.00 0.00 56.30 57.16 1q80 h ASN 77 Cb 0.35 0.08 -0.06 0.00 0.73 0.00 0.00 38.32 39.42 1q80 h ASN 77 CO 0.00 -0.08 0.35 0.77 -1.29 0.00 0.00 177.43 177.19 1q80 h SER 78 N -0.54 0.48 0.32 1.15 4.64 -1.25 -2.42 113.55 115.93 1q80 h SER 78 Ca -0.04 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1q80 h SER 78 Cb 0.40 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1q80 h SER 78 CO 0.06 0.30 -0.15 0.24 -0.87 0.00 0.00 176.83 176.40 1q80 h MET 79 N 0.62 -0.41 -0.97 4.77 2.86 -1.28 -2.46 114.93 118.05 1q80 h MET 79 Ca 0.32 0.03 0.30 0.00 -2.06 0.00 0.00 59.70 58.29 1q80 h MET 79 Cb 0.29 0.09 -0.15 0.00 0.06 0.00 0.00 31.60 31.89 1q80 h MET 79 CO -0.23 -0.11 0.46 -0.22 1.06 0.00 0.00 176.91 177.87 1q80 h LYS 80 N -0.72 0.26 0.00 1.72 3.11 -0.75 -0.56 116.57 119.63 1q80 h LYS 80 Ca -0.04 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1q80 h LYS 80 Cb 0.49 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 1q80 h LYS 80 CO 0.07 0.17 -0.00 0.93 -2.81 0.00 0.00 179.45 177.81 1q80 h GLU 81 N 0.27 0.00 -1.00 1.90 3.07 -1.49 -3.32 114.58 114.01 1q80 h GLU 81 Ca 0.69 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.57 1q80 h GLU 81 Cb 1.55 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.41 1q80 h GLU 81 CO -0.64 0.00 0.66 0.52 -1.40 0.00 0.00 179.01 178.15 1q80 h MET 82 N -0.99 1.30 -0.00 2.33 2.86 -1.31 -2.82 114.93 116.29 1q80 h MET 82 Ca 0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1q80 h MET 82 Cb 0.00 -0.29 0.00 0.00 0.06 0.00 0.00 31.60 31.37 1q80 h MET 82 CO 0.00 0.86 -0.05 0.28 1.06 0.00 0.00 176.91 179.05 1q80 n VAL 83 N -4.39 0.00 0.14 -2.22 0.31 -0.23 -4.27 118.33 107.67 1q80 n VAL 83 Ca 0.12 -0.02 0.01 0.00 -0.01 0.00 0.00 64.34 64.44 1q80 n VAL 83 Cb 0.03 -0.32 0.33 0.00 -0.91 0.00 0.00 33.84 32.97 1q80 n VAL 83 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1q80 h LYS 84 N 0.23 0.13 -5.63 5.55 1.79 -1.60 -3.41 116.57 113.63 1q80 h LYS 84 Ca 0.00 -0.05 -0.61 0.00 -2.18 0.00 0.00 60.65 57.81 1q80 h LYS 84 Cb 0.31 -0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 30.84 1q80 h LYS 84 CO 0.00 0.44 0.28 1.21 -1.08 0.00 0.00 179.45 180.30 1q80 s ASN 85 N -6.91 6.61 0.66 0.86 2.47 -1.26 -4.98 114.94 112.39 1q80 s ASN 85 Ca -0.04 0.63 0.37 0.00 0.42 0.00 0.00 52.86 54.24 1q80 s ASN 85 Cb 0.14 -2.37 1.99 0.00 -1.45 0.00 0.00 41.25 39.57 1q80 s ASN 85 CO 0.74 -0.51 2.12 1.55 -3.72 0.00 0.00 177.10 177.28 1q80 h PRO 86 N 8.05 0.00 -0.22 0.43 0.13 -1.94 -3.07 132.00 135.38 1q80 h PRO 86 Ca -0.25 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.89 1q80 h PRO 86 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1q80 h PRO 86 CO 0.83 0.00 0.15 0.93 -0.23 0.00 0.00 178.00 179.68 1q80 h GLU 87 N 0.00 0.22 -1.09 0.86 5.08 -1.95 -3.27 114.58 114.43 1q80 h GLU 87 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1q80 h GLU 87 Cb 0.36 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1q80 h GLU 87 CO 0.00 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.16 1q80 n ALA 88 N -2.52 2.35 -0.27 3.43 0.00 -1.16 -4.63 120.51 117.71 1q80 n ALA 88 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.53 1q80 n ALA 88 Cb 0.13 -1.00 0.22 0.00 0.00 0.00 0.00 19.45 18.80 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 0.24 0.27 -0.28 0.00 1.57 -1.85 -2.56 116.57 113.96 1q80 h LYS 89 Ca 0.00 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1q80 h LYS 89 Cb 0.79 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1q80 h LYS 89 CO 0.00 0.18 0.24 0.77 -0.57 0.00 0.00 179.45 180.07 1q80 h SER 90 N 0.28 0.00 1.02 0.86 0.02 -1.94 0.25 113.55 114.04 1q80 h SER 90 Ca 0.47 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.34 1q80 h SER 90 Cb 0.84 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 1q80 h SER 90 CO -0.55 0.00 -0.37 -0.37 -1.14 0.00 0.00 176.83 174.40 1q80 h VAL 91 N 0.00 0.80 0.08 2.27 -1.51 -1.85 -1.32 116.25 114.72 1q80 h VAL 91 Ca 0.13 -1.60 -0.37 0.00 -1.23 0.00 0.00 66.70 63.64 1q80 h VAL 91 Cb 0.61 2.01 -0.04 0.00 -2.13 0.00 0.00 31.29 31.74 1q80 h VAL 91 CO -0.00 0.36 -2.12 1.33 -1.23 0.00 0.00 177.57 175.91 1q80 n VAL 92 N -3.42 1.68 0.05 7.19 0.24 -0.63 -4.55 118.33 118.88 1q80 n VAL 92 Ca 0.00 -0.59 -0.14 0.00 -2.04 0.00 0.00 64.34 61.57 1q80 n VAL 92 Cb 0.54 -1.66 -0.05 0.00 -1.47 0.00 0.00 33.84 31.21 1q80 n VAL 92 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1q80 h GLU 93 N -0.04 0.49 -1.00 7.34 5.08 -0.63 -3.39 114.58 122.43 1q80 h GLU 93 Ca -0.48 -0.49 0.26 0.00 -1.00 0.00 0.00 59.36 57.65 1q80 h GLU 93 Cb 1.94 0.13 -0.19 0.00 0.50 0.00 0.00 28.75 31.14 1q80 h GLU 93 CO 0.00 1.14 -0.05 0.41 -1.00 0.00 0.00 179.01 179.51 1q80 n GLY 94 N 0.89 -1.44 0.31 -3.84 0.00 -0.50 -1.47 105.19 99.15 1q80 n GLY 94 Ca -0.07 1.00 0.21 0.00 0.00 0.00 0.00 46.02 47.16 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 -1.86 -3.37 132.00 128.47 1q80 h PRO 95 Ca 0.58 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.70 1q80 h PRO 95 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1q80 h PRO 95 CO -0.96 0.00 -0.05 1.25 -0.21 0.00 0.00 178.00 178.03 1q80 h LEU 96 N 0.00 -0.15 -1.57 2.35 5.85 -1.53 -1.31 115.31 118.95 1q80 h LEU 96 Ca -0.00 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1q80 h LEU 96 Cb 0.22 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1q80 h LEU 96 CO 0.00 -0.08 0.43 -0.65 -0.34 0.00 0.00 178.44 177.80 1q80 h PRO 97 N -0.08 0.46 -0.18 5.25 0.11 -1.78 -1.47 132.00 134.31 1q80 h PRO 97 Ca 0.03 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1q80 h PRO 97 Cb 0.12 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1q80 h PRO 97 CO -0.07 0.31 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.94 1q80 h LEU 98 N 0.48 0.33 -0.98 2.35 4.07 -1.73 -2.72 115.31 117.10 1q80 h LEU 98 Ca 0.30 -0.34 0.03 0.00 0.08 0.00 0.00 57.88 57.95 1q80 h LEU 98 Cb 0.53 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.13 1q80 h LEU 98 CO -0.09 0.58 0.65 -0.26 -1.08 0.00 0.00 178.44 178.24 1q80 h PHE 99 N 0.06 1.22 0.28 1.13 0.04 -0.81 -2.42 116.94 116.43 1q80 h PHE 99 Ca 0.05 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1q80 h PHE 99 Cb 0.43 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1q80 h PHE 99 CO 0.04 0.72 -0.25 0.35 -0.60 0.00 0.00 178.31 178.57 1q80 h PHE 100 N 1.28 -0.67 -0.07 -0.55 3.57 -1.23 -1.52 116.94 117.75 1q80 h PHE 100 Ca 0.38 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 1q80 h PHE 100 Cb -0.05 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1q80 h PHE 100 CO -0.00 -0.37 0.04 0.00 -2.23 0.00 0.00 178.31 175.74 1q80 h ARG 101 N -0.55 0.09 -0.13 1.11 2.47 -1.41 -1.54 114.38 114.42 1q80 h ARG 101 Ca -0.01 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.64 1q80 h ARG 101 Cb 0.50 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.80 1q80 h ARG 101 CO -0.04 0.06 -0.15 0.00 0.56 0.00 0.00 179.97 180.40 1q80 h ALA 102 N 1.95 0.19 0.00 0.04 0.00 -1.20 -3.30 119.26 116.94 1q80 h ALA 102 Ca 0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1q80 h ALA 102 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1q80 h ALA 102 CO -0.00 0.08 -0.35 0.28 0.00 0.00 0.00 179.25 179.26 1q80 h VAL 103 N -0.07 0.85 0.00 0.00 2.07 -1.10 -3.37 116.25 114.63 1q80 h VAL 103 Ca 0.02 -1.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 1q80 h VAL 103 Cb 0.69 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1q80 h VAL 103 CO 0.04 0.34 0.05 -0.67 0.02 0.00 0.00 177.57 177.34 1q80 n ASP 104 N -3.55 2.46 -0.11 0.57 2.03 -0.59 -4.73 116.55 112.62 1q80 n ASP 104 Ca -0.00 -1.81 0.27 0.00 0.52 0.00 0.00 54.79 53.76 1q80 n ASP 104 Cb 0.48 -0.59 0.65 0.00 -0.72 0.00 0.00 41.12 40.93 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 2.06 0.23 0.00 5.18 1.03 -1.83 -1.78 112.91 117.80 1q80 h THR 105 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.45 1q80 h THR 105 Cb 0.59 0.37 0.00 0.00 -1.07 0.00 0.00 68.15 68.04 1q80 h THR 105 CO 0.20 0.00 -0.06 -0.46 -0.01 0.00 0.00 175.52 175.18 1q80 n ASN 106 N -3.63 0.28 -2.43 0.00 0.23 -1.26 -1.89 115.26 106.55 1q80 n ASN 106 Ca 0.17 0.44 -0.10 0.00 -0.53 0.00 0.00 54.58 54.56 1q80 n ASN 106 Cb 1.08 -0.49 0.05 0.00 -2.08 0.00 0.00 39.78 38.34 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 -1.72 -3.87 0.00 -3.83 4.07 -0.67 -4.91 120.64 109.71 1q80 n GLU 107 Ca 0.06 0.50 0.00 0.00 -0.06 0.00 0.00 57.16 57.66 1q80 n GLU 107 Cb 0.37 -4.48 0.00 0.00 -0.06 0.00 0.00 31.44 27.27 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 -2.26 4.72 0.00 4.31 -0.08 -1.26 -5.04 116.55 116.93 1q80 n ASP 108 Ca -0.17 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 1q80 n ASP 108 Cb 0.60 0.98 0.00 0.00 2.34 0.00 0.00 41.12 45.04 1q80 n ASP 108 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1q80 n ASN 109 N -1.45 -2.97 -3.83 1.67 5.15 -1.26 -5.06 115.26 107.50 1q80 n ASN 109 Ca 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 1q80 n ASN 109 Cb 0.00 -0.50 -0.14 0.00 -0.53 0.00 0.00 39.78 38.62 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 -2.44 -0.06 -0.26 1.20 0.01 -1.26 -4.11 114.94 108.02 1q80 s ASN 110 Ca 0.00 0.14 -0.11 0.00 -0.71 0.00 0.00 52.86 52.18 1q80 s ASN 110 Cb 0.00 0.11 -0.05 0.00 0.41 0.00 0.00 41.25 41.72 1q80 s ASN 110 CO 0.00 -0.05 0.18 -0.63 -1.51 0.00 0.00 177.10 175.09 1q80 s ILE 111 N 0.26 5.33 0.59 0.60 1.01 0.03 -4.83 121.20 124.19 1q80 s ILE 111 Ca -0.02 0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.81 1q80 s ILE 111 Cb -0.03 -3.52 0.05 0.00 0.01 0.00 0.00 42.46 38.97 1q80 s ILE 111 CO -0.01 0.29 0.83 -0.94 0.00 0.00 0.00 174.94 175.12 1q80 s SER 112 N 1.43 5.12 0.27 3.58 1.04 -1.26 -0.83 113.70 123.05 1q80 s SER 112 Ca 0.07 0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.45 1q80 s SER 112 Cb -0.15 -0.83 0.43 0.00 0.10 0.00 0.00 66.02 65.57 1q80 s SER 112 CO 0.08 -1.28 1.57 -0.09 0.98 0.00 0.00 173.24 174.50 1q80 h ARG 113 N -0.09 0.00 -0.33 4.02 2.43 -1.98 -1.65 114.38 116.78 1q80 h ARG 113 Ca -0.42 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.63 1q80 h ARG 113 Cb 1.30 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1q80 h ARG 113 CO 0.52 0.00 -0.25 -0.44 -1.51 0.00 0.00 179.97 178.30 1q80 h ASP 114 N 0.00 0.79 -0.42 -3.80 5.19 -1.95 -1.32 116.42 114.91 1q80 h ASP 114 Ca 0.46 -0.44 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1q80 h ASP 114 Cb 0.69 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1q80 h ASP 114 CO -0.98 1.06 0.23 -0.33 -3.12 0.00 0.00 179.24 176.10 1q80 h GLU 115 N 0.52 0.60 -0.63 3.56 3.07 -1.81 0.22 114.58 120.12 1q80 h GLU 115 Ca 0.06 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 1q80 h GLU 115 Cb 0.81 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.58 1q80 h GLU 115 CO 0.07 0.49 0.18 -0.92 -1.40 0.00 0.00 179.01 177.42 1q80 h TYR 116 N 0.55 1.02 -0.41 4.33 3.20 -1.33 -1.59 116.97 122.74 1q80 h TYR 116 Ca 0.15 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1q80 h TYR 116 Cb 0.07 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 1q80 h TYR 116 CO -0.02 0.84 0.22 0.78 -1.64 0.00 0.00 178.16 178.35 1q80 h GLY 117 N 0.90 0.61 0.98 1.82 0.00 -1.02 -1.48 103.07 104.88 1q80 h GLY 117 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1q80 h GLY 117 CO -0.00 0.27 0.26 -2.22 0.00 0.00 0.00 176.54 174.84 1q80 h ILE 118 N 0.53 1.17 -0.21 2.60 5.03 -0.94 -1.54 117.51 124.15 1q80 h ILE 118 Ca 0.14 -0.45 0.05 0.00 -0.12 0.00 0.00 64.86 64.49 1q80 h ILE 118 Cb 0.06 0.60 -0.05 0.00 -3.03 0.00 0.00 36.82 34.40 1q80 h ILE 118 CO -0.02 0.18 -0.10 0.15 -0.68 0.00 0.00 178.15 177.68 1q80 h PHE 119 N 0.63 -0.22 0.03 1.37 3.57 -1.18 -1.43 116.94 119.70 1q80 h PHE 119 Ca 0.17 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1q80 h PHE 119 Cb 0.06 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1q80 h PHE 119 CO -0.02 -0.15 -0.08 0.74 -2.23 0.00 0.00 178.31 176.57 1q80 h PHE 120 N -0.07 -0.20 -0.45 0.41 -1.00 -1.10 -2.21 116.94 112.32 1q80 h PHE 120 Ca 0.11 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.95 1q80 h PHE 120 Cb 0.24 0.09 -0.05 0.00 3.61 0.00 0.00 35.95 39.84 1q80 h PHE 120 CO -0.26 -0.13 0.18 0.78 -1.61 0.00 0.00 178.31 177.27 1q80 h GLY 121 N -0.16 0.60 1.02 -1.45 0.00 -1.15 -2.37 103.07 99.56 1q80 h GLY 121 Ca 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1q80 h GLY 121 CO -0.06 0.04 0.38 -0.33 0.00 0.00 0.00 176.54 176.58 1q80 h MET 122 N 0.36 1.11 0.00 4.80 2.86 -1.19 -2.94 114.93 119.94 1q80 h MET 122 Ca 0.21 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1q80 h MET 122 Cb 0.18 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1q80 h MET 122 CO -0.19 0.86 0.00 1.28 1.06 0.00 0.00 176.91 179.92 1q80 n LEU 123 N -4.38 0.21 0.00 1.22 4.77 -0.84 -4.89 117.00 113.09 1q80 n LEU 123 Ca 0.07 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1q80 n LEU 123 Cb 0.13 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1q80 n LEU 123 CO 0.39 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1q80 n GLY 124 N -0.47 0.92 3.42 -0.72 0.00 -1.11 -4.69 105.19 102.54 1q80 n GLY 124 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 1.99 -0.32 0.99 2.01 -0.90 -5.05 118.68 117.40 1q80 s LEU 125 Ca 0.00 -1.43 -0.18 0.00 0.01 0.00 0.00 54.13 52.53 1q80 s LEU 125 Cb 0.00 -0.22 -0.01 0.00 0.01 0.00 0.00 46.19 45.97 1q80 s LEU 125 CO 0.00 -0.70 0.50 -0.62 1.01 0.00 0.00 176.35 176.54 1q80 s ASP 126 N -3.46 6.34 0.60 2.29 -1.08 -1.26 -4.06 116.67 116.05 1q80 s ASP 126 Ca 0.35 0.14 0.28 0.00 -0.52 0.00 0.00 52.55 52.79 1q80 s ASP 126 Cb 0.07 -2.27 1.29 0.00 -1.46 0.00 0.00 42.92 40.56 1q80 s ASP 126 CO 0.15 -0.41 1.69 0.07 0.52 0.00 0.00 175.17 177.19 1q80 h LYS 127 N 8.33 0.00 -0.07 4.34 5.09 -1.88 -1.76 116.57 130.61 1q80 h LYS 127 Ca -0.28 0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.48 1q80 h LYS 127 Cb 1.13 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.46 1q80 h LYS 127 CO 0.75 0.00 0.10 1.79 -2.09 0.00 0.00 179.45 179.99 1q80 h THR 128 N 0.00 0.41 0.00 0.07 1.35 -1.96 -2.20 112.91 110.58 1q80 h THR 128 Ca 0.29 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 66.02 1q80 h THR 128 Cb 1.74 0.92 -0.02 0.00 -1.73 0.00 0.00 68.15 69.06 1q80 h THR 128 CO -0.00 0.00 -0.63 -0.03 -0.25 0.00 0.00 175.52 174.61 1q80 h MET 129 N 0.00 0.00 -0.63 4.72 1.85 -1.75 -3.39 114.93 115.74 1q80 h MET 129 Ca 0.03 0.00 0.12 0.00 -0.61 0.00 0.00 59.70 59.25 1q80 h MET 129 Cb 0.23 0.00 -0.12 0.00 0.43 0.00 0.00 31.60 32.14 1q80 h MET 129 CO -0.00 0.63 -0.17 0.00 -0.40 0.00 0.00 176.91 176.97 1q80 h ALA 130 N 1.37 0.38 -0.56 0.39 0.00 -1.58 -2.69 119.26 116.57 1q80 h ALA 130 Ca -0.01 0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.25 1q80 h ALA 130 Cb 1.29 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 19.49 1q80 h ALA 130 CO 0.08 -0.44 0.09 -1.35 0.00 0.00 0.00 179.25 177.63 1q80 h PRO 131 N -0.01 0.21 -0.28 0.00 0.11 -1.77 0.29 132.00 130.54 1q80 h PRO 131 Ca 0.30 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.40 1q80 h PRO 131 Cb 0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1q80 h PRO 131 CO -0.65 0.14 0.17 0.00 -0.21 0.00 0.00 178.00 177.45 1q80 h ALA 132 N 1.45 0.35 -0.38 -0.75 0.00 -1.75 -0.34 119.26 117.85 1q80 h ALA 132 Ca 0.29 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1q80 h ALA 132 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1q80 h ALA 132 CO -0.39 -0.20 -0.18 1.03 0.00 0.00 0.00 179.25 179.51 1q80 h SER 133 N 0.35 0.71 -0.38 0.00 0.87 -1.32 -3.22 113.55 110.57 1q80 h SER 133 Ca 0.11 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1q80 h SER 133 Cb -0.02 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1q80 h SER 133 CO -0.04 0.89 0.21 0.15 -0.53 0.00 0.00 176.83 177.51 1q80 h PHE 134 N 0.63 0.52 -0.99 2.24 3.04 -0.68 -3.13 116.94 118.57 1q80 h PHE 134 Ca 0.10 -0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.20 1q80 h PHE 134 Cb 0.66 -0.17 -0.09 0.00 2.56 0.00 0.00 35.95 38.91 1q80 h PHE 134 CO 0.03 0.40 0.62 -0.44 -2.02 0.00 0.00 178.31 176.90 1q80 h ASP 135 N 0.48 0.81 0.23 0.41 3.32 -1.07 -0.38 116.42 120.23 1q80 h ASP 135 Ca 0.13 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 1q80 h ASP 135 Cb 0.05 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1q80 h ASP 135 CO -0.02 0.36 -0.24 0.00 -1.72 0.00 0.00 179.24 177.62 1q80 h ALA 136 N 1.60 1.61 0.08 3.45 0.00 -1.59 -3.32 119.26 121.08 1q80 h ALA 136 Ca 0.53 -0.22 -0.31 0.00 0.00 0.00 0.00 54.91 54.92 1q80 h ALA 136 Cb 0.75 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1q80 h ALA 136 CO -0.31 0.30 -1.69 0.82 0.00 0.00 0.00 179.25 178.36 1q80 h ILE 137 N 0.00 0.75 -0.30 0.00 2.04 -1.36 -3.45 117.51 115.19 1q80 h ILE 137 Ca -0.00 -2.28 -0.42 0.00 1.00 0.00 0.00 64.86 63.16 1q80 h ILE 137 Cb 0.42 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1q80 h ILE 137 CO 0.03 0.66 1.40 -0.67 0.00 0.00 0.00 178.15 179.56 1q80 n ASP 138 N -3.88 2.80 -0.25 1.72 2.03 -0.24 -4.85 116.55 113.88 1q80 n ASP 138 Ca -0.32 -2.68 -0.02 0.00 0.52 0.00 0.00 54.79 52.29 1q80 n ASP 138 Cb 0.90 -1.52 0.09 0.00 -0.72 0.00 0.00 41.12 39.86 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 5.66 1.06 -0.00 5.18 2.02 -1.87 -3.03 112.91 121.93 1q80 h THR 139 Ca 0.27 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1q80 h THR 139 Cb 0.86 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1q80 h THR 139 CO 1.45 0.15 -0.24 -0.46 0.37 0.00 0.00 175.52 176.79 1q80 n ASN 140 N -4.69 0.61 -1.26 4.18 6.94 -1.26 -5.01 115.26 114.77 1q80 n ASN 140 Ca 0.08 -0.49 -0.12 0.00 -0.02 0.00 0.00 54.58 54.03 1q80 n ASN 140 Cb 0.12 0.03 -0.02 0.00 -2.36 0.00 0.00 39.78 37.55 1q80 n ASN 140 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1q80 n ASN 141 N -1.04 -4.02 0.03 0.53 5.03 -1.15 -4.97 115.26 109.68 1q80 n ASN 141 Ca 0.11 0.07 0.13 0.00 0.87 0.00 0.00 54.58 55.76 1q80 n ASN 141 Cb 0.32 -3.06 0.48 0.00 -1.02 0.00 0.00 39.78 36.50 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 -0.22 0.34 0.00 6.41 8.00 -1.26 -4.96 116.55 124.85 1q80 n ASP 142 Ca -0.14 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1q80 n ASP 142 Cb 0.55 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 1.44 0.65 3.24 0.44 0.00 -1.26 -5.09 105.19 104.60 1q80 n GLY 143 Ca 0.06 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 2.52 -0.24 0.99 2.01 -1.26 -3.42 118.68 119.27 1q80 s LEU 144 Ca 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 54.13 53.16 1q80 s LEU 144 Cb 0.00 -0.31 0.06 0.00 0.01 0.00 0.00 46.19 45.95 1q80 s LEU 144 CO 0.00 -0.34 -0.07 -0.76 1.01 0.00 0.00 176.35 176.19 1q80 s LEU 145 N -3.11 2.91 0.83 1.79 1.43 -0.01 -4.65 118.68 117.87 1q80 s LEU 145 Ca 0.15 -1.27 -0.10 0.00 -1.03 0.00 0.00 54.13 51.88 1q80 s LEU 145 Cb 0.03 -1.32 0.13 0.00 0.03 0.00 0.00 46.19 45.06 1q80 s LEU 145 CO -0.00 -0.22 1.17 -0.94 0.23 0.00 0.00 176.35 176.58 1q80 s SER 146 N 1.28 3.98 0.22 2.29 1.04 -1.26 -0.79 113.70 120.47 1q80 s SER 146 Ca -0.07 0.29 -0.07 0.00 0.48 0.00 0.00 55.95 56.58 1q80 s SER 146 Cb -0.19 -0.62 0.31 0.00 0.10 0.00 0.00 66.02 65.61 1q80 s SER 146 CO -0.06 -2.16 1.81 0.25 0.98 0.00 0.00 173.24 174.06 1q80 h LEU 147 N -1.09 0.59 -0.12 2.42 5.85 -2.00 -1.97 115.31 118.98 1q80 h LEU 147 Ca -0.43 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.35 1q80 h LEU 147 Cb 1.28 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1q80 h LEU 147 CO 0.49 0.36 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.84 1q80 h GLU 148 N 0.72 0.01 -0.15 1.25 4.57 -1.96 -0.93 114.58 118.09 1q80 h GLU 148 Ca 0.34 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.51 1q80 h GLU 148 Cb 0.27 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1q80 h GLU 148 CO -0.22 0.00 0.06 0.93 -1.18 0.00 0.00 179.01 178.61 1q80 h GLU 149 N 0.01 0.23 -0.74 1.92 3.07 -1.87 -1.62 114.58 115.58 1q80 h GLU 149 Ca 0.06 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1q80 h GLU 149 Cb 0.08 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1q80 h GLU 149 CO -0.12 0.31 0.40 0.35 -1.40 0.00 0.00 179.01 178.55 1q80 h PHE 150 N 0.09 1.03 -0.32 4.33 3.04 -1.34 -1.45 116.94 122.33 1q80 h PHE 150 Ca 0.05 -0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.88 1q80 h PHE 150 Cb 0.17 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.35 1q80 h PHE 150 CO -0.01 0.73 -0.16 -0.39 -2.02 0.00 0.00 178.31 176.46 1q80 h VAL 151 N 1.03 1.29 0.48 1.41 -1.51 -1.12 -0.53 116.25 117.29 1q80 h VAL 151 Ca 0.26 -1.27 -0.02 0.00 -1.23 0.00 0.00 66.70 64.44 1q80 h VAL 151 Cb 0.05 1.44 -0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1q80 h VAL 151 CO -0.04 0.41 -0.27 0.40 -1.23 0.00 0.00 177.57 176.84 1q80 h ILE 152 N 0.43 0.45 -0.22 7.19 2.04 -1.23 -0.58 117.51 125.59 1q80 h ILE 152 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1q80 h ILE 152 Cb 0.69 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1q80 h ILE 152 CO 0.05 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.33 1q80 h ALA 153 N -0.20 0.28 -0.67 1.87 0.00 -1.34 -1.53 119.26 117.66 1q80 h ALA 153 Ca -0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1q80 h ALA 153 Cb 0.56 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1q80 h ALA 153 CO 0.07 -0.21 0.15 0.78 0.00 0.00 0.00 179.25 180.04 1q80 h GLY 154 N 0.26 1.16 0.99 0.00 0.00 -1.13 -1.58 103.07 102.77 1q80 h GLY 154 Ca 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1q80 h GLY 154 CO -0.01 0.68 0.16 0.23 0.00 0.00 0.00 176.54 177.59 1q80 h SER 155 N 1.02 0.27 -0.55 0.19 0.87 -1.06 -1.84 113.55 112.45 1q80 h SER 155 Ca 0.21 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.82 1q80 h SER 155 Cb 0.38 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.22 1q80 h SER 155 CO 0.00 0.19 0.28 -0.78 -0.53 0.00 0.00 176.83 175.99 1q80 h ASP 156 N 0.32 0.39 0.62 6.23 3.58 -1.09 0.17 116.42 126.64 1q80 h ASP 156 Ca 0.09 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1q80 h ASP 156 Cb -0.03 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 1q80 h ASP 156 CO -0.02 0.27 -0.51 0.15 -2.88 0.00 0.00 179.24 176.25 1q80 h PHE 157 N 0.53 -1.39 -0.11 0.28 3.57 -1.10 -0.96 116.94 117.76 1q80 h PHE 157 Ca 0.24 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 1q80 h PHE 157 Cb 0.16 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1q80 h PHE 157 CO -0.10 -0.71 -0.29 0.74 -2.23 0.00 0.00 178.31 175.72 1q80 h PHE 158 N -1.10 0.22 0.00 0.41 0.04 -1.22 -3.39 116.94 111.90 1q80 h PHE 158 Ca -0.08 -0.04 -0.25 0.00 2.80 0.00 0.00 57.97 60.40 1q80 h PHE 158 Cb 0.92 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.97 1q80 h PHE 158 CO -0.20 0.47 -1.93 -0.12 -0.60 0.00 0.00 178.31 175.93 1q80 n MET 159 N -4.14 1.28 -2.80 1.51 1.56 0.57 -5.01 117.12 110.10 1q80 n MET 159 Ca -0.01 0.03 -0.38 0.00 -0.27 0.00 0.00 57.70 57.07 1q80 n MET 159 Cb 0.38 -1.34 -0.06 0.00 2.15 0.00 0.00 33.22 34.35 1q80 n MET 159 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1q80 s ASN 160 N -5.03 7.45 -0.26 6.12 3.84 -0.37 -5.00 114.94 121.69 1q80 s ASN 160 Ca -0.13 1.85 0.23 0.00 0.21 0.00 0.00 52.86 55.01 1q80 s ASN 160 Cb 0.05 -2.58 0.50 0.00 -0.55 0.00 0.00 41.25 38.67 1q80 s ASN 160 CO 0.48 0.04 1.13 0.47 -2.79 0.00 0.00 177.10 176.43 1q80 n ASP 161 N 0.99 1.44 0.00 -4.21 8.00 -1.26 -4.76 116.55 116.75 1q80 n ASP 161 Ca -0.00 -2.03 0.00 0.00 0.71 0.00 0.00 54.79 53.47 1q80 n ASP 161 Cb 0.49 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 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 -0.62 0.90 2.82 0.44 0.00 -1.26 -4.97 105.19 102.49 1q80 n GLY 162 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.08 0.25 1.61 -1.08 -1.26 -4.88 116.67 111.23 1q80 s ASP 163 Ca 0.00 -1.08 0.06 0.00 -0.52 0.00 0.00 52.55 51.01 1q80 s ASP 163 Cb 0.00 1.41 -0.03 0.00 -1.46 0.00 0.00 42.92 42.84 1q80 s ASP 163 CO 0.00 -0.06 0.29 -0.94 0.52 0.00 0.00 175.17 174.98 1q80 s SER 164 N 1.18 5.91 0.33 -0.34 1.04 -1.26 -5.05 113.70 115.50 1q80 s SER 164 Ca 0.24 -0.11 0.12 0.00 0.48 0.00 0.00 55.95 56.68 1q80 s SER 164 Cb 0.03 -1.59 0.55 0.00 0.10 0.00 0.00 66.02 65.11 1q80 s SER 164 CO -0.08 -0.08 1.72 0.71 0.98 0.00 0.00 173.24 176.49 1q80 h THR 165 N 1.30 1.33 0.00 2.02 1.35 -2.01 -3.27 112.91 113.64 1q80 h THR 165 Ca -0.50 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 1q80 h THR 165 Cb 1.24 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 1q80 h THR 165 CO 0.60 0.48 0.00 0.59 -0.25 0.00 0.00 175.52 176.94 1q80 n ASN 166 N -3.94 0.00 0.28 5.36 5.03 -1.26 -4.04 115.26 116.69 1q80 n ASN 166 Ca -0.01 -1.11 0.19 0.00 0.87 0.00 0.00 54.58 54.51 1q80 n ASN 166 Cb 0.51 0.00 0.94 0.00 -1.02 0.00 0.00 39.78 40.21 1q80 n ASN 166 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 1q80 h LYS 167 N 0.00 0.00 -0.71 3.52 2.10 -1.91 -2.64 116.57 116.94 1q80 h LYS 167 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1q80 h LYS 167 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1q80 h LYS 167 CO 0.00 0.00 0.00 1.33 -2.00 0.00 0.00 179.45 178.78 1q80 n VAL 168 N -2.91 1.77 -0.35 0.07 0.24 -1.26 -4.71 118.33 111.18 1q80 n VAL 168 Ca -0.01 -0.91 0.13 0.00 -2.04 0.00 0.00 64.34 61.50 1q80 n VAL 168 Cb 0.14 -0.32 0.32 0.00 -1.47 0.00 0.00 33.84 32.51 1q80 n VAL 168 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 1q80 h PHE 169 N 2.66 1.07 -1.07 6.34 3.04 -1.79 -1.50 116.94 125.69 1q80 h PHE 169 Ca 0.00 0.03 -0.68 0.00 3.98 0.00 0.00 57.97 61.30 1q80 h PHE 169 Cb 1.44 -0.32 -0.30 0.00 2.56 0.00 0.00 35.95 39.33 1q80 h PHE 169 CO 0.71 0.25 0.81 0.91 -2.02 0.00 0.00 178.31 178.97 1q80 n TRP 170 N -4.74 3.20 -1.99 0.41 7.02 -1.26 -5.07 117.44 115.00 1q80 n TRP 170 Ca 0.23 -2.95 0.00 0.00 -1.02 0.00 0.00 57.50 53.76 1q80 n TRP 170 Cb 0.56 -1.38 0.00 0.00 -2.42 0.00 0.00 31.31 28.06 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 -0.88 -1.88 3.75 6.99 0.00 -0.56 -4.88 105.19 107.73 1q80 n GLY 171 Ca 0.61 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 1q80 n GLY 171 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q80 s PRO 172 N 0.00 3.20 -0.38 1.61 0.04 -1.26 -4.51 135.00 133.70 1q80 s PRO 172 Ca 0.00 1.98 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 1q80 s PRO 172 Cb 0.00 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1q80 s PRO 172 CO 0.00 -1.07 1.85 -0.51 0.04 0.00 0.00 177.00 177.31 1q80 s LEU 173 N -3.64 3.46 0.00 -3.56 1.43 -1.26 -4.93 118.68 110.18 1q80 s LEU 173 Ca 0.72 1.15 0.08 0.00 -1.03 0.00 0.00 54.13 55.05 1q80 s LEU 173 Cb -0.34 -3.30 0.49 0.00 0.03 0.00 0.00 46.19 43.07 1q80 s LEU 173 CO 0.39 -1.88 0.95 1.33 0.23 0.00 0.00 176.35 177.37