#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c80 s ARG 2 N 0.00 3.55 -0.09 0.03 1.70 -1.26 -5.01 118.95 117.87 1c80 s ARG 2 Ca 0.00 0.48 -0.21 0.00 -0.47 0.00 0.00 55.73 55.53 1c80 s ARG 2 Cb 0.00 -2.22 0.05 0.00 -0.57 0.00 0.00 34.95 32.21 1c80 s ARG 2 CO 0.00 -0.41 0.50 -1.54 -1.08 0.00 0.00 175.30 172.77 1c80 s SER 3 N -4.15 -0.46 -0.22 -2.89 1.04 -1.24 -4.29 113.70 101.50 1c80 s SER 3 Ca 0.51 0.63 -0.04 0.00 0.48 0.00 0.00 55.95 57.54 1c80 s SER 3 Cb -0.11 0.66 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1c80 s SER 3 CO 0.50 -0.40 -0.05 -0.63 0.98 0.00 0.00 173.24 173.63 1c80 s ILE 4 N -0.70 3.31 -0.25 -1.02 1.01 0.83 -2.87 121.20 121.52 1c80 s ILE 4 Ca -0.08 -0.51 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 1c80 s ILE 4 Cb -0.03 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1c80 s ILE 4 CO 0.05 0.43 0.32 -0.31 0.00 0.00 0.00 174.94 175.43 1c80 s TYR 5 N 1.43 3.29 -0.07 3.97 1.51 0.58 -0.49 117.35 127.57 1c80 s TYR 5 Ca 0.05 0.41 0.05 0.00 -1.01 0.00 0.00 57.07 56.56 1c80 s TYR 5 Cb -0.14 -2.48 -0.01 0.00 -0.11 0.00 0.00 41.96 39.21 1c80 s TYR 5 CO -0.03 -0.11 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.58 1c80 s LEU 6 N 1.64 2.31 0.13 -1.29 1.43 0.26 -0.83 118.68 122.32 1c80 s LEU 6 Ca 0.14 -0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 52.57 1c80 s LEU 6 Cb -0.15 -1.45 0.07 0.00 0.03 0.00 0.00 46.19 44.69 1c80 s LEU 6 CO 0.08 0.25 0.75 0.00 0.23 0.00 0.00 176.35 177.67 1c80 s ARG 8 N -3.52 2.10 1.00 0.00 0.52 -1.26 -0.64 118.95 117.14 1c80 s ARG 8 Ca 0.05 -0.66 -0.12 0.00 -0.52 0.00 0.00 55.73 54.48 1c80 s ARG 8 Cb -0.02 -2.30 0.19 0.00 0.52 0.00 0.00 34.95 33.34 1c80 s ARG 8 CO -0.07 -1.17 1.08 -3.38 0.02 0.00 0.00 175.30 171.78 1c80 s HIS 9 N -3.09 1.95 0.92 -0.53 -3.43 -0.84 -4.64 115.29 105.63 1c80 s HIS 9 Ca 0.61 1.20 -0.11 0.00 -0.80 0.00 0.00 55.06 55.96 1c80 s HIS 9 Cb -0.09 -3.19 0.14 0.00 -1.43 0.00 0.00 32.58 28.01 1c80 s HIS 9 CO 0.43 -2.96 1.09 0.20 -2.00 0.00 0.00 174.74 171.50 1c80 s GLY 10 N -3.14 1.63 0.18 -1.38 0.00 -1.26 -4.67 107.32 98.68 1c80 s GLY 10 Ca 0.66 0.09 -0.33 0.00 0.00 0.00 0.00 44.72 45.14 1c80 s GLY 10 CO 0.59 0.58 1.43 -2.21 0.00 0.00 0.00 173.10 173.49 1c80 n GLU 11 N -4.03 1.87 -3.26 2.90 2.13 -1.26 -4.88 120.64 114.10 1c80 n GLU 11 Ca 0.08 0.67 -0.18 0.00 0.66 0.00 0.00 57.16 58.38 1c80 n GLU 11 Cb 0.54 -2.35 -0.01 0.00 0.27 0.00 0.00 31.44 29.90 1c80 n GLU 11 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1c80 s SER 12 N 0.50 5.53 0.11 4.31 1.04 -1.26 -1.34 113.70 122.59 1c80 s SER 12 Ca 0.75 -0.47 -0.24 0.00 0.48 0.00 0.00 55.95 56.46 1c80 s SER 12 Cb -0.72 -0.74 -0.07 0.00 0.10 0.00 0.00 66.02 64.59 1c80 s SER 12 CO 0.45 -0.66 1.67 -0.33 0.98 0.00 0.00 173.24 175.36 1c80 h GLU 13 N 0.81 -0.24 -0.54 4.02 4.39 -1.41 -1.49 114.58 120.12 1c80 h GLU 13 Ca -0.41 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.26 1c80 h GLU 13 Cb 1.27 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.95 1c80 h GLU 13 CO 0.50 -0.16 0.15 -0.07 -1.16 0.00 0.00 179.01 178.27 1c80 h LEU 14 N -0.25 0.75 0.38 1.33 3.38 -1.87 0.13 115.31 119.15 1c80 h LEU 14 Ca 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1c80 h LEU 14 Cb 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1c80 h LEU 14 CO -0.14 0.72 -0.30 0.78 0.09 0.00 0.00 178.44 179.59 1c80 h ASN 15 N 0.79 -0.80 -0.78 -0.43 2.35 -1.58 0.21 115.58 115.34 1c80 h ASN 15 Ca 0.18 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1c80 h ASN 15 Cb 0.26 0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 1c80 h ASN 15 CO -0.01 -0.45 0.52 0.25 -1.65 0.00 0.00 177.43 176.09 1c80 h LEU 16 N -0.69 0.90 0.00 1.61 5.85 -1.04 -2.21 115.31 119.73 1c80 h LEU 16 Ca -0.03 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1c80 h LEU 16 Cb 0.60 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1c80 h LEU 16 CO -0.01 0.65 0.00 0.54 -0.34 0.00 0.00 178.44 179.28 1c80 n ARG 17 N -4.42 0.82 -0.52 1.25 1.74 0.01 -4.92 116.66 110.62 1c80 n ARG 17 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1c80 n ARG 17 Cb 0.03 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1c80 n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c80 n GLY 18 N 1.04 0.69 3.39 -0.13 0.00 -0.57 -5.03 105.19 104.59 1c80 n GLY 18 Ca 0.21 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1c80 n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c80 s ARG 19 N -0.87 1.42 0.28 1.61 0.52 0.64 -4.45 118.95 118.10 1c80 s ARG 19 Ca 0.00 -1.44 0.02 0.00 -0.52 0.00 0.00 55.73 53.80 1c80 s ARG 19 Cb 0.00 -1.73 -0.03 0.00 0.52 0.00 0.00 34.95 33.70 1c80 s ARG 19 CO 0.00 0.38 0.45 0.96 0.02 0.00 0.00 175.30 177.11 1c80 s ILE 20 N -1.55 5.18 0.00 1.52 -4.36 -0.98 -3.94 121.20 117.07 1c80 s ILE 20 Ca 0.17 -0.66 0.00 0.00 -0.26 0.00 0.00 60.65 59.90 1c80 s ILE 20 Cb -0.08 -3.84 0.00 0.00 1.25 0.00 0.00 42.46 39.78 1c80 s ILE 20 CO 0.08 -0.41 0.00 0.61 0.24 0.00 0.00 174.94 175.46 1c80 n GLY 21 N -1.48 2.20 7.00 6.27 0.00 -1.26 0.25 105.19 118.17 1c80 n GLY 21 Ca -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1c80 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c80 n GLY 22 N 0.00 -1.59 2.24 -0.02 0.00 -1.26 -4.70 105.19 99.86 1c80 n GLY 22 Ca 0.00 -1.26 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 1c80 n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c80 n ASP 23 N -0.45 0.12 -4.94 1.61 2.03 -1.26 -5.04 116.55 108.62 1c80 n ASP 23 Ca 0.00 -2.87 -0.24 0.00 0.52 0.00 0.00 54.79 52.20 1c80 n ASP 23 Cb 0.00 -0.39 -0.00 0.00 -0.72 0.00 0.00 41.12 40.01 1c80 n ASP 23 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1c80 s SER 24 N -1.64 6.17 0.85 1.67 1.04 -1.26 -4.82 113.70 115.71 1c80 s SER 24 Ca 0.36 0.44 -0.07 0.00 0.48 0.00 0.00 55.95 57.16 1c80 s SER 24 Cb 0.24 -1.91 0.13 0.00 0.10 0.00 0.00 66.02 64.58 1c80 s SER 24 CO -0.11 -0.43 0.83 0.61 0.98 0.00 0.00 173.24 175.12 1c80 n GLY 25 N -1.91 -0.58 3.80 7.32 0.00 -1.26 -3.53 105.19 109.03 1c80 n GLY 25 Ca -0.03 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 1c80 n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c80 s LEU 26 N 0.00 4.04 0.77 0.99 1.43 -1.26 -1.16 118.68 123.48 1c80 s LEU 26 Ca 0.49 1.84 -0.07 0.00 -1.03 0.00 0.00 54.13 55.37 1c80 s LEU 26 Cb -0.02 -4.37 0.11 0.00 0.03 0.00 0.00 46.19 41.94 1c80 s LEU 26 CO 0.34 -0.42 1.08 -0.94 0.23 0.00 0.00 176.35 176.63 1c80 s SER 27 N -1.90 4.27 0.19 2.29 1.04 -0.45 -4.66 113.70 114.48 1c80 s SER 27 Ca 0.60 0.16 -0.11 0.00 0.48 0.00 0.00 55.95 57.07 1c80 s SER 27 Cb -0.15 -0.58 0.20 0.00 0.10 0.00 0.00 66.02 65.59 1c80 s SER 27 CO 0.20 -1.94 1.77 0.00 0.98 0.00 0.00 173.24 174.25 1c80 h ALA 28 N -0.82 0.73 -0.35 5.32 0.00 -1.97 -1.12 119.26 121.06 1c80 h ALA 28 Ca -0.42 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1c80 h ALA 28 Cb 1.28 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1c80 h ALA 28 CO 0.49 -0.10 -0.15 -0.09 0.00 0.00 0.00 179.25 179.39 1c80 h ARG 29 N 0.50 0.63 -0.65 0.00 2.43 -1.93 -2.55 114.38 112.80 1c80 h ARG 29 Ca 0.26 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1c80 h ARG 29 Cb 0.23 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1c80 h ARG 29 CO -0.21 0.75 0.43 0.78 -1.51 0.00 0.00 179.97 180.21 1c80 h GLY 30 N 0.97 0.91 1.26 2.80 0.00 -1.38 -1.86 103.07 105.78 1c80 h GLY 30 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1c80 h GLY 30 CO 0.04 0.33 0.34 0.50 0.00 0.00 0.00 176.54 177.75 1c80 h LYS 31 N 0.88 0.96 -0.71 4.80 1.57 -0.94 -2.06 116.57 121.07 1c80 h LYS 31 Ca 0.24 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1c80 h LYS 31 Cb -0.10 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 31.99 1c80 h LYS 31 CO -0.05 0.73 0.41 1.96 -0.57 0.00 0.00 179.45 181.93 1c80 h GLN 32 N 0.96 0.98 -0.50 3.15 1.08 -0.98 -2.06 115.11 117.75 1c80 h GLN 32 Ca 0.24 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 1c80 h GLN 32 Cb 0.08 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.29 1c80 h GLN 32 CO -0.03 0.72 0.11 -0.92 -0.95 0.00 0.00 178.83 177.76 1c80 h TYR 33 N 0.98 0.79 -0.90 2.96 3.20 -0.71 -1.61 116.97 121.68 1c80 h TYR 33 Ca 0.25 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 62.11 1c80 h TYR 33 Cb 0.01 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 37.98 1c80 h TYR 33 CO -0.01 0.68 0.57 0.00 -1.64 0.00 0.00 178.16 177.76 1c80 h ALA 34 N 1.38 1.23 -0.00 1.82 0.00 -0.73 0.35 119.26 123.31 1c80 h ALA 34 Ca 0.16 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1c80 h ALA 34 Cb 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1c80 h ALA 34 CO -0.00 0.35 -0.67 1.88 0.00 0.00 0.00 179.25 180.80 1c80 h TYR 35 N 1.05 0.01 -0.22 0.00 0.05 -1.14 -1.93 116.97 114.79 1c80 h TYR 35 Ca 0.39 -0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.99 1c80 h TYR 35 Cb 0.14 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.88 1c80 h TYR 35 CO -0.02 0.68 -0.56 0.00 -1.05 0.00 0.00 178.16 177.21 1c80 h ALA 36 N 1.32 0.59 -0.23 3.88 0.00 -0.27 -2.14 119.26 122.42 1c80 h ALA 36 Ca -0.01 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1c80 h ALA 36 Cb 1.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1c80 h ALA 36 CO 0.09 0.69 0.05 1.25 0.00 0.00 0.00 179.25 181.32 1c80 h LEU 37 N 0.52 0.35 -0.91 0.00 5.85 -0.22 -0.67 115.31 120.23 1c80 h LEU 37 Ca 0.01 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.57 1c80 h LEU 37 Cb 1.13 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 1c80 h LEU 37 CO 0.11 0.51 0.56 0.00 -0.34 0.00 0.00 178.44 179.28 1c80 h ALA 38 N 0.86 1.31 -0.34 1.25 0.00 -1.28 -0.21 119.26 120.85 1c80 h ALA 38 Ca 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1c80 h ALA 38 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1c80 h ALA 38 CO 0.00 0.22 0.07 -0.91 0.00 0.00 0.00 179.25 178.63 1c80 h ASN 39 N 0.94 0.53 -0.17 0.00 -0.26 -0.99 -2.09 115.58 113.54 1c80 h ASN 39 Ca 0.43 -0.25 0.01 0.00 -0.56 0.00 0.00 56.30 55.93 1c80 h ASN 39 Cb 0.33 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 1c80 h ASN 39 CO -0.23 0.64 0.08 0.15 -1.06 0.00 0.00 177.43 177.01 1c80 h PHE 40 N 0.40 0.15 0.14 1.19 3.57 -0.23 -1.30 116.94 120.86 1c80 h PHE 40 Ca 0.10 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1c80 h PHE 40 Cb 0.33 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1c80 h PHE 40 CO 0.02 0.08 -0.21 0.82 -2.23 0.00 0.00 178.31 176.79 1c80 h ILE 41 N 0.17 0.52 -0.90 1.41 1.08 -0.99 -1.68 117.51 117.12 1c80 h ILE 41 Ca 0.07 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.65 1c80 h ILE 41 Cb 0.02 0.52 -0.07 0.00 -3.07 0.00 0.00 36.82 34.22 1c80 h ILE 41 CO -0.05 0.00 0.58 -0.09 -0.69 0.00 0.00 178.15 177.90 1c80 h ARG 42 N -0.42 0.79 -0.24 2.37 9.65 -1.26 0.16 114.38 125.43 1c80 h ARG 42 Ca 0.02 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1c80 h ARG 42 Cb 0.43 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 1c80 h ARG 42 CO -0.10 0.52 0.08 1.03 2.80 0.00 0.00 179.97 184.30 1c80 h SER 43 N 0.81 0.30 0.88 -3.80 0.87 -0.47 -2.53 113.55 109.61 1c80 h SER 43 Ca 0.43 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.91 1c80 h SER 43 Cb 0.54 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1c80 h SER 43 CO -0.20 0.29 -0.28 1.56 -0.53 0.00 0.00 176.83 177.67 1c80 h GLN 44 N 0.34 0.00 -5.78 2.24 1.08 0.20 -3.48 115.11 109.71 1c80 h GLN 44 Ca 0.08 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.99 1c80 h GLN 44 Cb 0.10 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 27.66 1c80 h GLN 44 CO -0.01 0.28 -0.79 0.41 -0.95 0.00 0.00 178.83 177.78 1c80 n GLY 45 N 0.16 -1.12 3.85 3.46 0.00 -0.96 -4.97 105.19 105.61 1c80 n GLY 45 Ca -0.00 0.53 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 1c80 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c80 s ILE 46 N -3.35 4.94 -0.28 -0.61 1.01 -1.26 -5.05 121.20 116.59 1c80 s ILE 46 Ca 0.39 0.75 -0.22 0.00 0.00 0.00 0.00 60.65 61.57 1c80 s ILE 46 Cb -0.09 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1c80 s ILE 46 CO 0.79 0.34 0.71 -0.94 0.00 0.00 0.00 174.94 175.84 1c80 s SER 47 N -1.58 6.62 -0.85 3.58 1.04 -1.26 -4.52 113.70 116.74 1c80 s SER 47 Ca 0.33 0.66 -0.02 0.00 0.48 0.00 0.00 55.95 57.40 1c80 s SER 47 Cb -0.15 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1c80 s SER 47 CO 0.18 -0.51 0.62 -1.54 0.98 0.00 0.00 173.24 172.98 1c80 n SER 48 N 5.97 -5.17 -4.75 7.02 3.41 -1.26 -4.83 113.62 114.01 1c80 n SER 48 Ca 0.02 -0.88 -0.40 0.00 -0.26 0.00 0.00 58.87 57.34 1c80 n SER 48 Cb 0.48 -2.15 -0.05 0.00 -0.26 0.00 0.00 64.21 62.24 1c80 n SER 48 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1c80 s LEU 49 N -5.02 4.51 -0.20 1.04 2.96 -1.26 -4.70 118.68 116.00 1c80 s LEU 49 Ca 0.04 1.63 -0.06 0.00 -0.22 0.00 0.00 54.13 55.52 1c80 s LEU 49 Cb -0.02 -3.38 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 1c80 s LEU 49 CO 0.88 0.04 0.04 -0.54 -1.32 0.00 0.00 176.35 175.45 1c80 s LYS 50 N -0.35 3.79 -0.23 1.98 1.02 -0.86 -5.00 119.74 120.09 1c80 s LYS 50 Ca 0.41 -0.43 -0.14 0.00 0.02 0.00 0.00 55.97 55.82 1c80 s LYS 50 Cb -0.22 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1c80 s LYS 50 CO 0.26 0.11 0.33 0.08 -0.92 0.00 0.00 175.35 175.21 1c80 s VAL 51 N 0.80 5.23 0.02 3.17 1.01 -1.26 -1.47 120.40 127.89 1c80 s VAL 51 Ca 0.02 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.58 1c80 s VAL 51 Cb -0.14 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1c80 s VAL 51 CO 0.02 0.25 -0.11 0.26 0.00 0.00 0.00 175.10 175.52 1c80 s TRP 52 N 1.47 2.76 0.28 5.22 0.52 0.35 -1.17 118.94 128.37 1c80 s TRP 52 Ca 0.15 -0.12 0.05 0.00 0.02 0.00 0.00 56.10 56.19 1c80 s TRP 52 Cb -0.15 -1.55 -0.02 0.00 -1.15 0.00 0.00 33.47 30.60 1c80 s TRP 52 CO 0.08 0.32 0.27 0.25 0.02 0.00 0.00 176.95 177.89 1c80 n THR 53 N 1.54 0.00 -2.73 2.01 -2.24 -0.28 -1.18 114.28 111.41 1c80 n THR 53 Ca -0.16 -1.90 0.00 0.00 -2.27 0.00 0.00 64.05 59.73 1c80 n THR 53 Cb 0.52 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 1c80 n THR 53 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1c80 n SER 54 N -1.88 0.58 -0.04 3.42 3.41 -1.26 -0.86 113.62 116.99 1c80 n SER 54 Ca 0.05 -0.44 0.12 0.00 -0.26 0.00 0.00 58.87 58.34 1c80 n SER 54 Cb 0.49 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.64 1c80 n SER 54 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1c80 n HIS 55 N -0.31 0.00 -2.11 7.33 8.25 -1.19 -4.34 115.22 122.85 1c80 n HIS 55 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1c80 n HIS 55 Cb 0.00 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 30.90 1c80 n HIS 55 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1c80 s MET 56 N -2.93 4.35 0.30 -0.41 -1.94 -1.26 -4.92 119.30 112.50 1c80 s MET 56 Ca 0.12 2.22 0.01 0.00 -1.71 0.00 0.00 55.69 56.34 1c80 s MET 56 Cb 0.17 -3.08 0.56 0.00 2.01 0.00 0.00 34.83 34.50 1c80 s MET 56 CO 0.70 -0.20 1.90 0.87 -0.01 0.00 0.00 175.02 178.28 1c80 h LYS 57 N 3.52 0.97 -0.61 2.03 1.57 -1.87 -2.56 116.57 119.61 1c80 h LYS 57 Ca -0.49 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.28 1c80 h LYS 57 Cb 1.23 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 1c80 h LYS 57 CO 0.66 0.64 0.35 0.07 -0.57 0.00 0.00 179.45 180.60 1c80 h ARG 58 N 0.99 0.65 -0.37 3.15 0.11 -1.90 -0.71 114.38 116.30 1c80 h ARG 58 Ca 0.40 -0.04 -0.15 0.00 0.10 0.00 0.00 59.98 60.30 1c80 h ARG 58 Cb 0.27 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 1c80 h ARG 58 CO -0.16 0.43 -0.34 1.79 0.10 0.00 0.00 179.97 181.79 1c80 h THR 59 N 0.67 1.28 0.27 0.08 1.35 -1.80 -3.04 112.91 111.72 1c80 h THR 59 Ca 0.26 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.60 1c80 h THR 59 Cb 0.11 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1c80 h THR 59 CO -0.14 0.50 -0.13 0.40 -0.25 0.00 0.00 175.52 175.90 1c80 h ILE 60 N 0.69 0.73 -0.37 6.82 2.04 -1.19 -1.95 117.51 124.29 1c80 h ILE 60 Ca 0.06 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1c80 h ILE 60 Cb 0.92 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1c80 h ILE 60 CO 0.09 0.00 0.26 1.56 0.00 0.00 0.00 178.15 180.05 1c80 h GLN 61 N -0.37 0.15 -0.06 2.37 4.20 -1.19 0.13 115.11 120.34 1c80 h GLN 61 Ca -0.04 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1c80 h GLN 61 Cb 0.28 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1c80 h GLN 61 CO 0.06 0.10 -0.10 1.15 -0.67 0.00 0.00 178.83 179.37 1c80 h THR 62 N 0.16 1.40 -0.44 -0.54 2.02 -1.36 -3.20 112.91 110.95 1c80 h THR 62 Ca 0.17 -1.36 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 1c80 h THR 62 Cb 0.47 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 1c80 h THR 62 CO -0.02 0.38 0.11 0.00 0.37 0.00 0.00 175.52 176.35 1c80 h ALA 63 N 0.51 1.37 -0.44 6.16 0.00 -0.44 -1.99 119.26 124.42 1c80 h ALA 63 Ca 0.01 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.87 1c80 h ALA 63 Cb 0.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1c80 h ALA 63 CO 0.02 0.45 0.32 0.93 0.00 0.00 0.00 179.25 180.97 1c80 h GLU 64 N 0.64 0.05 0.00 0.00 4.39 -0.79 0.12 114.58 118.99 1c80 h GLU 64 Ca 0.15 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1c80 h GLU 64 Cb 0.24 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1c80 h GLU 64 CO -0.00 0.03 0.00 0.00 -1.16 0.00 0.00 179.01 177.88 1c80 n ALA 65 N -2.61 2.44 0.61 3.43 0.00 -0.75 -2.94 120.51 120.69 1c80 n ALA 65 Ca 0.07 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1c80 n ALA 65 Cb 0.49 -1.44 0.10 0.00 0.00 0.00 0.00 19.45 18.60 1c80 n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1c80 n LEU 66 N -1.12 0.64 -2.54 0.00 4.32 0.40 -4.74 117.00 113.95 1c80 n LEU 66 Ca 0.17 0.07 -0.21 0.00 -0.02 0.00 0.00 56.01 56.03 1c80 n LEU 66 Cb 0.14 -0.14 -0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1c80 n LEU 66 CO 0.17 0.01 -0.20 0.61 -1.22 0.00 0.00 177.39 176.77 1c80 n GLY 67 N 1.37 -0.50 3.02 -0.72 0.00 -1.15 -4.98 105.19 102.22 1c80 n GLY 67 Ca 0.03 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1c80 n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c80 s VAL 68 N -3.04 0.18 0.44 1.61 -7.23 -1.26 -5.14 120.40 105.95 1c80 s VAL 68 Ca 0.07 -1.23 -0.26 0.00 -1.81 0.00 0.00 61.98 58.75 1c80 s VAL 68 Cb -0.03 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 36.11 1c80 s VAL 68 CO 0.08 -0.66 1.44 -2.84 -0.31 0.00 0.00 175.10 172.81 1c80 s PRO 69 N -2.30 3.76 0.02 4.82 0.02 -1.26 -4.90 135.00 135.16 1c80 s PRO 69 Ca -0.08 2.45 0.02 0.00 0.02 0.00 0.00 61.00 63.42 1c80 s PRO 69 Cb -0.04 -2.71 -0.01 0.00 0.02 0.00 0.00 34.50 31.75 1c80 s PRO 69 CO -0.04 -0.77 -0.08 1.52 -0.33 0.00 0.00 177.00 177.30 1c80 s TYR 70 N -1.19 0.70 -0.20 6.54 1.13 -1.26 -4.24 117.35 118.83 1c80 s TYR 70 Ca 0.59 -0.30 -0.10 0.00 -1.41 0.00 0.00 57.07 55.86 1c80 s TYR 70 Cb -0.44 -0.43 -0.05 0.00 -1.10 0.00 0.00 41.96 39.94 1c80 s TYR 70 CO 0.58 -0.03 0.14 -2.00 -2.51 0.00 0.00 175.55 171.73 1c80 s GLU 71 N -0.87 4.18 -0.09 -3.49 2.12 -0.32 -4.96 118.70 115.28 1c80 s GLU 71 Ca -0.03 -0.21 -0.15 0.00 0.36 0.00 0.00 54.97 54.95 1c80 s GLU 71 Cb -0.06 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 1c80 s GLU 71 CO 0.00 0.28 0.37 -0.65 -0.54 0.00 0.00 175.26 174.72 1c80 s GLN 72 N 0.42 4.09 -0.09 4.30 -0.21 -1.26 -1.12 119.66 125.79 1c80 s GLN 72 Ca 0.08 0.28 0.04 0.00 0.02 0.00 0.00 55.36 55.78 1c80 s GLN 72 Cb -0.11 -3.34 0.00 0.00 1.00 0.00 0.00 33.01 30.56 1c80 s GLN 72 CO -0.01 0.42 -0.22 -1.58 -2.12 0.00 0.00 175.29 171.78 1c80 s TRP 73 N -0.17 2.32 -0.43 0.91 0.52 -0.04 -4.96 118.94 117.10 1c80 s TRP 73 Ca 0.21 -0.89 0.24 0.00 0.02 0.00 0.00 56.10 55.68 1c80 s TRP 73 Cb -0.15 -1.56 0.43 0.00 -1.15 0.00 0.00 33.47 31.04 1c80 s TRP 73 CO 0.09 -0.36 1.64 -0.22 0.02 0.00 0.00 176.95 178.12 1c80 h LYS 74 N 6.64 0.00 0.00 4.98 3.11 -1.91 -3.13 116.57 126.26 1c80 h LYS 74 Ca -0.23 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.59 1c80 h LYS 74 Cb 1.22 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.45 1c80 h LYS 74 CO 0.47 0.00 -0.08 0.00 -2.81 0.00 0.00 179.45 177.03 1c80 h ALA 75 N 2.04 0.96 -0.01 5.00 0.00 -1.94 -3.11 119.26 122.20 1c80 h ALA 75 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1c80 h ALA 75 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1c80 h ALA 75 CO 0.00 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1c80 n LEU 76 N -3.14 0.95 -4.76 0.00 4.77 -1.19 -4.67 117.00 108.96 1c80 n LEU 76 Ca 0.03 -0.32 -0.39 0.00 -0.03 0.00 0.00 56.01 55.30 1c80 n LEU 76 Cb 0.49 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1c80 n LEU 76 CO 0.33 0.16 0.98 0.20 -1.33 0.00 0.00 177.39 177.72 1c80 s ASN 77 N -2.00 5.74 0.70 -1.43 -0.87 -1.18 -4.54 114.94 111.37 1c80 s ASN 77 Ca 0.42 2.71 -0.16 0.00 -1.57 0.00 0.00 52.86 54.25 1c80 s ASN 77 Cb 0.21 -2.64 0.02 0.00 -0.02 0.00 0.00 41.25 38.83 1c80 s ASN 77 CO 0.35 -1.24 1.22 -0.70 -2.57 0.00 0.00 177.10 174.16 1c80 s GLU 78 N -2.64 2.33 0.27 -0.60 2.56 -1.26 -4.91 118.70 114.44 1c80 s GLU 78 Ca 0.65 1.82 -0.30 0.00 0.00 0.00 0.00 54.97 57.14 1c80 s GLU 78 Cb -0.39 -1.85 -0.13 0.00 2.00 0.00 0.00 34.13 33.76 1c80 s GLU 78 CO 0.48 -1.71 1.33 1.51 -0.56 0.00 0.00 175.26 176.32 1c80 n ILE 79 N -2.42 1.34 -2.68 -3.70 3.06 -1.26 -4.93 119.36 108.77 1c80 n ILE 79 Ca 0.14 -0.34 -0.43 0.00 -2.50 0.00 0.00 62.75 59.62 1c80 n ILE 79 Cb 0.50 -1.44 -0.02 0.00 0.54 0.00 0.00 39.64 39.21 1c80 n ILE 79 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1c80 s ASP 80 N 0.04 7.05 0.00 9.51 3.68 -1.26 -4.91 116.67 130.77 1c80 s ASP 80 Ca 0.64 1.29 0.28 0.00 2.13 0.00 0.00 52.55 56.88 1c80 s ASP 80 Cb -0.64 -2.53 1.02 0.00 -1.45 0.00 0.00 42.92 39.32 1c80 s ASP 80 CO 0.54 -0.70 1.75 0.00 0.13 0.00 0.00 175.17 176.89 1c80 n ALA 81 N 6.39 2.87 -0.73 3.66 0.00 -1.26 -0.09 120.51 131.36 1c80 n ALA 81 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1c80 n ALA 81 Cb 0.46 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1c80 n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c80 n GLY 82 N 1.39 3.16 0.36 0.00 0.00 -1.26 -3.08 105.19 105.76 1c80 n GLY 82 Ca 0.10 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1c80 n GLY 82 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1c80 h VAL 83 N 0.00 0.89 -1.66 1.61 -1.51 -1.41 -2.68 116.25 111.49 1c80 h VAL 83 Ca 0.00 -0.32 -0.70 0.00 -1.23 0.00 0.00 66.70 64.45 1c80 h VAL 83 Cb 0.00 -0.11 -0.22 0.00 -2.13 0.00 0.00 31.29 28.83 1c80 h VAL 83 CO 0.00 0.17 1.14 0.00 -1.23 0.00 0.00 177.57 177.64 1c80 s GLU 85 N -2.98 3.93 -1.73 0.00 2.56 -1.01 -4.05 118.70 115.41 1c80 s GLU 85 Ca 0.51 0.41 0.00 0.00 0.00 0.00 0.00 54.97 55.89 1c80 s GLU 85 Cb 0.32 -3.23 0.00 0.00 2.00 0.00 0.00 34.13 33.22 1c80 s GLU 85 CO -0.24 0.68 0.00 0.39 -0.56 0.00 0.00 175.26 175.53 1c80 n GLU 86 N 1.87 -1.58 -3.62 4.30 1.02 0.14 -4.95 120.64 117.81 1c80 n GLU 86 Ca -0.14 1.07 -0.20 0.00 -0.02 0.00 0.00 57.16 57.88 1c80 n GLU 86 Cb 0.52 -5.48 -0.01 0.00 -0.02 0.00 0.00 31.44 26.45 1c80 n GLU 86 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1c80 s MET 87 N -3.38 3.21 0.41 3.49 -1.94 -1.26 -4.65 119.30 115.18 1c80 s MET 87 Ca 0.00 -0.94 0.06 0.00 -1.71 0.00 0.00 55.69 53.10 1c80 s MET 87 Cb 0.00 -2.84 0.01 0.00 2.01 0.00 0.00 34.83 34.01 1c80 s MET 87 CO 0.00 0.17 0.57 0.95 -0.01 0.00 0.00 175.02 176.70 1c80 s THR 88 N -2.12 3.40 0.45 2.05 -4.23 -1.26 -2.31 115.64 111.62 1c80 s THR 88 Ca 0.42 -0.91 0.19 0.00 -1.18 0.00 0.00 61.69 60.20 1c80 s THR 88 Cb -0.09 -3.18 0.22 0.00 1.34 0.00 0.00 72.50 70.79 1c80 s THR 88 CO 0.30 -0.08 2.03 0.10 -0.54 0.00 0.00 174.62 176.44 1c80 h TYR 89 N 0.63 0.00 -0.01 3.99 -0.00 -2.00 -0.73 116.97 118.85 1c80 h TYR 89 Ca -0.43 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 58.09 1c80 h TYR 89 Cb 1.27 0.00 0.02 0.00 0.00 0.00 0.00 36.73 38.02 1c80 h TYR 89 CO 0.41 0.15 -0.82 0.93 -0.00 0.00 0.00 178.16 178.83 1c80 h GLU 90 N 0.00 0.57 -0.59 0.10 4.39 -1.96 -1.22 114.58 115.88 1c80 h GLU 90 Ca -0.00 -0.60 -0.06 0.00 0.34 0.00 0.00 59.36 59.04 1c80 h GLU 90 Cb 0.30 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1c80 h GLU 90 CO 0.02 1.22 0.15 0.93 -1.16 0.00 0.00 179.01 180.16 1c80 h GLU 91 N 0.17 0.91 -0.52 2.33 5.08 -1.80 -0.84 114.58 119.92 1c80 h GLU 91 Ca -0.10 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1c80 h GLU 91 Cb 1.50 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 1c80 h GLU 91 CO 0.16 0.82 0.05 0.82 -1.00 0.00 0.00 179.01 179.86 1c80 h ILE 92 N 0.88 1.26 -0.67 3.13 2.04 -0.98 0.11 117.51 123.28 1c80 h ILE 92 Ca 0.19 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 1c80 h ILE 92 Cb 0.31 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1c80 h ILE 92 CO -0.00 0.36 0.34 1.56 0.00 0.00 0.00 178.15 180.40 1c80 h GLN 93 N 0.75 0.95 0.18 2.37 4.20 -0.82 0.41 115.11 123.15 1c80 h GLN 93 Ca 0.15 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1c80 h GLN 93 Cb 0.45 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1c80 h GLN 93 CO 0.02 0.74 -0.09 1.49 -0.67 0.00 0.00 178.83 180.32 1c80 h GLU 94 N 0.92 -0.23 0.00 1.46 4.81 -0.88 -3.03 114.58 117.63 1c80 h GLU 94 Ca 0.23 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1c80 h GLU 94 Cb 0.09 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1c80 h GLU 94 CO -0.03 0.17 -0.75 0.45 -0.73 0.00 0.00 179.01 178.13 1c80 h HIS 95 N -0.74 0.00 -2.02 0.92 3.86 -0.81 -3.38 115.15 112.97 1c80 h HIS 95 Ca -0.02 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.68 1c80 h HIS 95 Cb 0.51 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.58 1c80 h HIS 95 CO 0.07 0.13 -1.13 0.66 0.86 0.00 0.00 177.93 178.51 1c80 n TYR 96 N -2.87 0.34 -0.33 2.45 4.01 0.13 -5.00 117.16 115.89 1c80 n TYR 96 Ca -0.00 -3.77 0.03 0.00 -0.16 0.00 0.00 57.90 53.99 1c80 n TYR 96 Cb 0.60 -0.41 0.17 0.00 -0.31 0.00 0.00 39.34 39.39 1c80 n TYR 96 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1c80 h PRO 97 N 3.27 0.94 0.02 -0.72 0.13 -1.52 -2.79 132.00 131.33 1c80 h PRO 97 Ca 0.10 -0.06 -0.21 0.00 -0.87 0.00 0.00 66.00 64.96 1c80 h PRO 97 Cb 0.91 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 1c80 h PRO 97 CO 0.52 0.62 -0.96 0.93 -0.23 0.00 0.00 178.00 178.88 1c80 h GLU 98 N 0.97 0.08 -0.54 0.86 4.39 -1.90 -3.25 114.58 115.18 1c80 h GLU 98 Ca 0.41 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 1c80 h GLU 98 Cb 0.27 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1c80 h GLU 98 CO -0.21 0.97 0.14 0.93 -1.16 0.00 0.00 179.01 179.68 1c80 h GLU 99 N 0.03 0.86 -0.71 2.33 3.07 -1.90 -0.58 114.58 117.68 1c80 h GLU 99 Ca -0.03 -0.20 0.15 0.00 -0.50 0.00 0.00 59.36 58.77 1c80 h GLU 99 Cb 1.65 -0.12 -0.10 0.00 -0.84 0.00 0.00 28.75 29.34 1c80 h GLU 99 CO 0.13 0.81 0.17 0.35 -1.40 0.00 0.00 179.01 179.08 1c80 h PHE 100 N 0.76 0.27 0.03 4.33 3.57 -1.53 -1.92 116.94 122.45 1c80 h PHE 100 Ca 0.17 0.04 -0.24 0.00 3.53 0.00 0.00 57.97 61.47 1c80 h PHE 100 Cb 0.33 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1c80 h PHE 100 CO 0.02 -0.06 -1.19 0.00 -2.23 0.00 0.00 178.31 174.85 1c80 h ALA 101 N 1.58 0.37 -0.92 2.41 0.00 -1.57 -3.29 119.26 117.84 1c80 h ALA 101 Ca 0.39 -1.01 0.12 0.00 0.00 0.00 0.00 54.91 54.41 1c80 h ALA 101 Cb 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1c80 h ALA 101 CO -0.48 1.25 0.59 1.25 0.00 0.00 0.00 179.25 181.87 1c80 h LEU 102 N 0.02 0.79 -0.78 0.00 6.46 -0.34 -1.43 115.31 120.02 1c80 h LEU 102 Ca -0.09 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.74 1c80 h LEU 102 Cb 1.86 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 41.62 1c80 h LEU 102 CO 0.14 0.43 0.49 -0.09 -0.62 0.00 0.00 178.44 178.78 1c80 h ARG 103 N 0.85 0.92 -0.24 1.25 2.43 -1.50 -2.62 114.38 115.47 1c80 h ARG 103 Ca 0.45 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.64 1c80 h ARG 103 Cb 0.54 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1c80 h ARG 103 CO -0.21 0.61 0.25 -0.44 -1.51 0.00 0.00 179.97 178.67 1c80 h ASP 104 N 0.95 0.00 0.05 -3.80 3.45 -1.40 -1.36 116.42 114.31 1c80 h ASP 104 Ca 0.32 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.61 1c80 h ASP 104 Cb 0.04 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1c80 h ASP 104 CO -0.12 0.00 -0.59 1.56 -1.57 0.00 0.00 179.24 178.52 1c80 h GLN 105 N 0.00 0.55 -1.06 3.56 7.50 -1.53 -3.42 115.11 120.70 1c80 h GLN 105 Ca 0.12 -0.36 -0.08 0.00 0.50 0.00 0.00 58.65 58.82 1c80 h GLN 105 Cb 0.62 0.05 -0.20 0.00 0.05 0.00 0.00 27.48 28.00 1c80 h GLN 105 CO -0.00 0.98 -0.47 0.34 -1.50 0.00 0.00 178.83 178.18 1c80 s ASP 106 N -6.94 -1.36 0.44 1.46 3.68 -0.58 -5.02 116.67 108.36 1c80 s ASP 106 Ca -0.07 -0.86 0.30 0.00 2.13 0.00 0.00 52.55 54.04 1c80 s ASP 106 Cb 0.11 1.87 1.17 0.00 -1.45 0.00 0.00 42.92 44.63 1c80 s ASP 106 CO 0.84 -0.17 1.87 0.50 0.13 0.00 0.00 175.17 178.34 1c80 h LYS 107 N 6.94 0.00 0.00 4.34 3.64 -1.65 -0.10 116.57 129.74 1c80 h LYS 107 Ca 0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1c80 h LYS 107 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1c80 h LYS 107 CO 0.10 0.00 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.34 1c80 h TYR 108 N 0.00 0.02 -0.15 1.91 3.20 -1.88 -3.35 116.97 116.73 1c80 h TYR 108 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1c80 h TYR 108 Cb 0.49 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1c80 h TYR 108 CO 0.00 0.95 0.00 0.54 -1.64 0.00 0.00 178.16 178.01 1c80 n ARG 109 N -4.62 1.92 -2.37 1.82 1.74 -1.21 -1.47 116.66 112.46 1c80 n ARG 109 Ca -0.10 -1.37 -0.41 0.00 -0.77 0.00 0.00 57.85 55.20 1c80 n ARG 109 Cb 0.46 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.42 1c80 n ARG 109 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1c80 s TYR 110 N -1.82 3.43 -0.09 -1.55 5.04 -0.06 -4.93 117.35 117.38 1c80 s TYR 110 Ca 0.34 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.50 1c80 s TYR 110 Cb 0.20 -3.41 0.02 0.00 0.35 0.00 0.00 41.96 39.12 1c80 s TYR 110 CO 0.29 -1.05 -0.07 0.50 -1.34 0.00 0.00 175.55 173.88 1c80 s ARG 111 N -0.92 1.33 0.51 4.97 3.52 -1.26 -4.17 118.95 122.92 1c80 s ARG 111 Ca 0.49 -0.21 -0.21 0.00 -0.13 0.00 0.00 55.73 55.67 1c80 s ARG 111 Cb -0.33 -1.36 -0.07 0.00 -1.56 0.00 0.00 34.95 31.62 1c80 s ARG 111 CO 0.41 -0.19 1.11 0.71 -0.81 0.00 0.00 175.30 176.53 1c80 s TYR 112 N 1.44 2.81 -0.08 5.12 2.02 -1.24 -4.92 117.35 122.51 1c80 s TYR 112 Ca -0.01 1.56 -0.35 0.00 -0.37 0.00 0.00 57.07 57.89 1c80 s TYR 112 Cb -0.13 -3.25 -0.13 0.00 -0.40 0.00 0.00 41.96 38.05 1c80 s TYR 112 CO -0.04 -1.34 1.80 -2.30 -1.57 0.00 0.00 175.55 172.09 1c80 n PRO 113 N -1.01 1.98 -1.47 -1.71 -0.02 -1.26 -0.67 135.00 130.84 1c80 n PRO 113 Ca 0.10 0.72 -0.11 0.00 -2.02 0.00 0.00 63.50 62.20 1c80 n PRO 113 Cb 0.51 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 1c80 n PRO 113 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1c80 n LYS 114 N 5.87 -0.76 -1.88 -0.52 5.02 -1.26 -1.15 118.16 123.48 1c80 n LYS 114 Ca 0.22 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.33 1c80 n LYS 114 Cb 0.26 -4.79 0.00 0.00 -0.02 0.00 0.00 35.03 30.48 1c80 n LYS 114 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c80 n GLY 115 N -1.56 4.18 4.02 0.72 0.00 0.16 -4.19 105.19 108.52 1c80 n GLY 115 Ca -0.11 -1.78 -0.20 0.00 0.00 0.00 0.00 46.02 43.93 1c80 n GLY 115 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c80 s GLU 116 N -1.81 2.19 0.30 1.61 2.02 0.88 -4.54 118.70 119.34 1c80 s GLU 116 Ca 0.00 -1.48 0.03 0.00 0.02 0.00 0.00 54.97 53.54 1c80 s GLU 116 Cb 0.00 -2.58 -0.06 0.00 0.10 0.00 0.00 34.13 31.60 1c80 s GLU 116 CO 0.00 -0.96 0.08 -1.54 0.02 0.00 0.00 175.26 172.86 1c80 s SER 117 N -4.66 1.90 0.34 -0.19 1.04 -1.26 -3.62 113.70 107.25 1c80 s SER 117 Ca 0.62 -1.40 0.07 0.00 0.48 0.00 0.00 55.95 55.72 1c80 s SER 117 Cb -0.06 0.07 0.61 0.00 0.10 0.00 0.00 66.02 66.74 1c80 s SER 117 CO 0.40 -0.69 1.82 1.88 0.98 0.00 0.00 173.24 177.63 1c80 h TYR 118 N 2.20 0.34 -0.46 5.02 0.05 -1.60 -1.41 116.97 121.12 1c80 h TYR 118 Ca -0.39 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.29 1c80 h TYR 118 Cb 1.25 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.88 1c80 h TYR 118 CO 0.60 0.51 0.11 1.49 -1.05 0.00 0.00 178.16 179.82 1c80 h GLU 119 N 0.28 0.73 0.22 4.88 4.81 -1.60 -0.96 114.58 122.93 1c80 h GLU 119 Ca 0.05 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1c80 h GLU 119 Cb 0.54 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1c80 h GLU 119 CO 0.04 0.72 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.50 1c80 h ASP 120 N 0.61 -0.25 -0.72 1.04 3.45 -1.75 -2.74 116.42 116.06 1c80 h ASP 120 Ca 0.14 0.00 0.10 0.00 0.43 0.00 0.00 57.03 57.71 1c80 h ASP 120 Cb 0.32 0.06 -0.08 0.00 -0.56 0.00 0.00 39.33 39.08 1c80 h ASP 120 CO 0.00 -0.17 0.34 0.25 -1.57 0.00 0.00 179.24 178.09 1c80 h LEU 121 N -0.30 0.42 -0.84 1.55 5.85 -1.10 -0.21 115.31 120.69 1c80 h LEU 121 Ca -0.03 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1c80 h LEU 121 Cb 0.23 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 1c80 h LEU 121 CO 0.05 0.23 0.51 0.58 -0.34 0.00 0.00 178.44 179.46 1c80 h VAL 122 N 0.57 0.98 -0.22 1.05 2.07 -0.97 -1.41 116.25 118.31 1c80 h VAL 122 Ca 0.36 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 1c80 h VAL 122 Cb 0.42 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1c80 h VAL 122 CO -0.30 0.16 -0.06 1.56 0.02 0.00 0.00 177.57 178.95 1c80 h GLN 123 N 0.89 0.44 0.00 1.57 1.08 -0.81 -2.97 115.11 115.31 1c80 h GLN 123 Ca 0.38 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1c80 h GLN 123 Cb 0.26 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1c80 h GLN 123 CO -0.20 0.68 -0.06 -0.09 -0.95 0.00 0.00 178.83 178.21 1c80 h ARG 124 N 0.16 0.00 0.00 1.46 2.43 -0.65 -2.44 114.38 115.35 1c80 h ARG 124 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1c80 h ARG 124 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1c80 h ARG 124 CO 0.02 0.06 -0.33 1.28 -1.51 0.00 0.00 179.97 179.49 1c80 n LEU 125 N -3.56 0.54 -0.33 3.80 4.77 -0.57 -4.35 117.00 117.29 1c80 n LEU 125 Ca -0.02 0.31 0.01 0.00 -0.03 0.00 0.00 56.01 56.28 1c80 n LEU 125 Cb 0.17 -0.29 0.08 0.00 -2.33 0.00 0.00 43.42 41.05 1c80 n LEU 125 CO 0.27 -0.03 0.64 -0.08 -1.33 0.00 0.00 177.39 176.86 1c80 h GLU 126 N 0.00 -0.02 -0.80 3.23 4.57 -1.40 0.34 114.58 120.50 1c80 h GLU 126 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1c80 h GLU 126 Cb 0.64 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.17 1c80 h GLU 126 CO 0.00 -0.02 0.48 -1.35 -1.18 0.00 0.00 179.01 176.94 1c80 h PRO 127 N -0.02 0.84 0.01 0.92 0.11 -1.82 -1.58 132.00 130.46 1c80 h PRO 127 Ca 0.38 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.44 1c80 h PRO 127 Cb 0.63 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1c80 h PRO 127 CO -0.93 0.55 -0.01 0.28 -0.21 0.00 0.00 178.00 177.69 1c80 h VAL 128 N 0.86 1.09 -0.92 3.15 2.07 -1.25 -2.23 116.25 119.03 1c80 h VAL 128 Ca 0.36 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1c80 h VAL 128 Cb 0.21 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 1c80 h VAL 128 CO -0.19 0.08 0.57 0.40 0.02 0.00 0.00 177.57 178.46 1c80 h ILE 129 N -0.15 1.01 -0.14 4.57 2.04 -0.99 0.29 117.51 124.13 1c80 h ILE 129 Ca -0.00 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1c80 h ILE 129 Cb 0.15 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.12 1c80 h ILE 129 CO 0.00 0.18 -0.04 0.24 0.00 0.00 0.00 178.15 178.53 1c80 h MET 130 N 1.00 -0.02 -0.30 2.37 2.86 -1.08 -1.90 114.93 117.86 1c80 h MET 130 Ca 0.42 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.97 1c80 h MET 130 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1c80 h MET 130 CO -0.20 -0.01 -0.21 1.49 1.06 0.00 0.00 176.91 179.04 1c80 h GLU 131 N -0.02 0.56 -0.36 1.72 4.57 -0.65 -2.59 114.58 117.82 1c80 h GLU 131 Ca 0.07 -0.20 0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1c80 h GLU 131 Cb 0.12 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 1c80 h GLU 131 CO -0.15 0.74 0.24 1.25 -1.18 0.00 0.00 179.01 179.90 1c80 h LEU 132 N 0.50 0.37 -0.44 1.64 5.85 0.11 -1.13 115.31 122.21 1c80 h LEU 132 Ca 0.08 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.61 1c80 h LEU 132 Cb 0.64 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1c80 h LEU 132 CO 0.05 0.26 -0.74 -0.08 -0.34 0.00 0.00 178.44 177.59 1c80 h GLU 133 N 0.43 0.30 0.00 1.25 4.57 -0.97 -3.17 114.58 116.99 1c80 h GLU 133 Ca 0.14 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1c80 h GLU 133 Cb 0.03 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1c80 h GLU 133 CO -0.03 0.91 0.00 0.00 -1.18 0.00 0.00 179.01 178.71 1c80 h ARG 134 N 0.20 0.00 -7.11 1.92 3.08 -1.09 -3.46 114.38 107.92 1c80 h ARG 134 Ca -0.03 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.56 1c80 h ARG 134 Cb 1.31 0.00 0.06 0.00 0.08 0.00 0.00 29.97 31.42 1c80 h ARG 134 CO 0.12 0.00 0.14 -0.65 -1.07 0.00 0.00 179.97 178.51 1c80 s GLN 135 N -3.31 2.55 0.00 0.04 -1.52 -0.74 -5.08 119.66 111.60 1c80 s GLN 135 Ca 0.06 -0.29 0.00 0.00 -1.95 0.00 0.00 55.36 53.18 1c80 s GLN 135 Cb 0.08 -2.29 0.00 0.00 -0.22 0.00 0.00 33.01 30.58 1c80 s GLN 135 CO 0.60 -0.90 0.00 0.39 -0.25 0.00 0.00 175.29 175.12 1c80 n GLU 136 N -2.65 0.00 -3.90 2.91 -0.58 -1.26 -4.98 120.64 110.18 1c80 n GLU 136 Ca 0.06 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.45 1c80 n GLU 136 Cb 0.59 -0.02 -0.12 0.00 -0.57 0.00 0.00 31.44 31.32 1c80 n GLU 136 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1c80 s ASN 137 N -1.00 5.10 0.02 1.62 0.01 -1.26 -3.62 114.94 115.81 1c80 s ASN 137 Ca 0.00 -0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.00 1c80 s ASN 137 Cb 0.00 -1.90 -0.01 0.00 0.41 0.00 0.00 41.25 39.75 1c80 s ASN 137 CO 0.00 0.03 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.87 1c80 s VAL 138 N 1.23 0.39 -0.24 1.60 1.01 -1.14 -2.02 120.40 121.23 1c80 s VAL 138 Ca 0.04 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1c80 s VAL 138 Cb -0.15 -0.41 0.05 0.00 0.00 0.00 0.00 36.38 35.88 1c80 s VAL 138 CO 0.03 -0.15 -0.13 -0.22 0.00 0.00 0.00 175.10 174.62 1c80 s LEU 139 N -0.82 3.18 -0.45 3.92 2.96 -0.54 -0.31 118.68 126.62 1c80 s LEU 139 Ca -0.05 -1.25 -0.13 0.00 -0.22 0.00 0.00 54.13 52.49 1c80 s LEU 139 Cb -0.06 -1.53 0.07 0.00 0.50 0.00 0.00 46.19 45.17 1c80 s LEU 139 CO -0.00 -0.15 0.34 -0.69 -1.32 0.00 0.00 176.35 174.52 1c80 s VAL 140 N 1.14 4.80 -0.60 1.68 1.01 -0.01 -0.49 120.40 127.93 1c80 s VAL 140 Ca -0.06 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 60.50 1c80 s VAL 140 Cb -0.19 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.37 1c80 s VAL 140 CO -0.07 -0.54 0.84 -0.63 0.00 0.00 0.00 175.10 174.70 1c80 s ILE 141 N 1.55 4.54 0.00 2.22 1.01 -0.32 -2.54 121.20 127.66 1c80 s ILE 141 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1c80 s ILE 141 Cb -0.24 -4.55 0.00 0.00 0.01 0.00 0.00 42.46 37.68 1c80 s ILE 141 CO 0.05 -1.21 0.00 0.00 0.00 0.00 0.00 174.94 173.77 1c80 s HIS 143 N 3.74 1.76 0.04 0.00 3.76 -1.26 -1.99 115.29 121.34 1c80 s HIS 143 Ca 0.00 -1.12 -0.22 0.00 -0.15 0.00 0.00 55.06 53.58 1c80 s HIS 143 Cb 0.00 -1.10 -0.11 0.00 1.11 0.00 0.00 32.58 32.48 1c80 s HIS 143 CO 0.00 -0.20 1.33 0.37 -0.85 0.00 0.00 174.74 175.39 1c80 h GLN 144 N 2.17 -0.70 -0.82 1.40 4.15 -1.96 0.30 115.11 119.66 1c80 h GLN 144 Ca -0.39 0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.15 1c80 h GLN 144 Cb 1.25 0.16 -0.05 0.00 0.21 0.00 0.00 27.48 29.05 1c80 h GLN 144 CO 0.63 -0.47 0.53 0.00 -1.93 0.00 0.00 178.83 177.60 1c80 h ALA 145 N -1.51 1.62 0.11 3.38 0.00 -1.99 -1.08 119.26 119.78 1c80 h ALA 145 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1c80 h ALA 145 Cb 0.58 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1c80 h ALA 145 CO 0.08 0.26 -0.05 0.28 0.00 0.00 0.00 179.25 179.81 1c80 h VAL 146 N 0.88 1.08 -0.47 0.00 2.07 -1.89 -2.76 116.25 115.17 1c80 h VAL 146 Ca 0.35 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 67.17 1c80 h VAL 146 Cb 0.24 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1c80 h VAL 146 CO -0.13 0.18 0.32 -0.03 0.02 0.00 0.00 177.57 177.93 1c80 h MET 147 N -0.50 0.39 -0.23 1.57 -1.53 0.06 -0.65 114.93 114.04 1c80 h MET 147 Ca -0.01 -0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 56.19 1c80 h MET 147 Cb 0.41 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.36 1c80 h MET 147 CO 0.02 0.26 0.02 0.00 0.14 0.00 0.00 176.91 177.36 1c80 h ARG 148 N 0.40 0.39 -0.49 0.39 3.08 -1.15 0.41 114.38 117.42 1c80 h ARG 148 Ca 0.20 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1c80 h ARG 148 Cb 0.30 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1c80 h ARG 148 CO -0.05 0.55 0.16 0.00 -1.07 0.00 0.00 179.97 179.55 1c80 h LEU 150 N 0.65 0.24 -0.43 0.00 3.38 -1.10 -2.34 115.31 115.71 1c80 h LEU 150 Ca 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1c80 h LEU 150 Cb 0.27 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1c80 h LEU 150 CO -0.01 0.26 0.24 0.25 0.09 0.00 0.00 178.44 179.27 1c80 h LEU 151 N 0.20 0.53 -1.50 1.67 5.85 -0.76 -2.36 115.31 118.94 1c80 h LEU 151 Ca 0.07 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1c80 h LEU 151 Cb 0.07 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1c80 h LEU 151 CO -0.01 0.46 0.46 0.00 -0.34 0.00 0.00 178.44 179.01 1c80 h ALA 152 N 1.09 1.90 0.59 1.25 0.00 -0.72 -0.69 119.26 122.67 1c80 h ALA 152 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1c80 h ALA 152 Cb 0.04 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1c80 h ALA 152 CO -0.02 -0.04 -0.28 -0.92 0.00 0.00 0.00 179.25 177.98 1c80 h TYR 153 N 0.56 -0.73 0.00 0.00 3.20 -0.89 -0.19 116.97 118.92 1c80 h TYR 153 Ca 0.32 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 1c80 h TYR 153 Cb 0.50 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1c80 h TYR 153 CO -0.00 -0.40 -0.26 0.74 -1.64 0.00 0.00 178.16 176.60 1c80 h PHE 154 N -1.02 0.00 -0.65 -3.82 0.04 -1.30 -2.78 116.94 107.41 1c80 h PHE 154 Ca -0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1c80 h PHE 154 Cb 0.66 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1c80 h PHE 154 CO 0.00 0.26 0.00 1.28 -0.60 0.00 0.00 178.31 179.26 1c80 n LEU 155 N -4.00 3.78 -3.99 1.54 4.77 -0.29 -4.43 117.00 114.38 1c80 n LEU 155 Ca -0.02 -1.84 -0.26 0.00 -0.03 0.00 0.00 56.01 53.86 1c80 n LEU 155 Cb 0.33 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1c80 n LEU 155 CO 0.36 0.92 -0.26 -0.67 -1.33 0.00 0.00 177.39 176.41 1c80 n ASP 156 N 1.59 -0.18 -4.87 -1.43 -0.08 -0.63 -4.96 116.55 105.99 1c80 n ASP 156 Ca 0.23 -1.04 -0.32 0.00 -1.51 0.00 0.00 54.79 52.16 1c80 n ASP 156 Cb 0.61 -2.90 -0.05 0.00 2.34 0.00 0.00 41.12 41.12 1c80 n ASP 156 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1c80 s LYS 157 N -6.64 3.81 0.95 -0.67 -0.14 -0.18 -5.05 119.74 111.82 1c80 s LYS 157 Ca 0.00 0.28 -0.12 0.00 -1.36 0.00 0.00 55.97 54.77 1c80 s LYS 157 Cb -0.00 -2.66 0.16 0.00 -1.68 0.00 0.00 37.83 33.65 1c80 s LYS 157 CO 0.90 0.32 1.10 -1.54 -0.76 0.00 0.00 175.35 175.38 1c80 s SER 158 N -2.34 3.08 0.55 2.83 1.04 -1.26 -4.82 113.70 112.77 1c80 s SER 158 Ca 0.47 1.18 0.30 0.00 0.48 0.00 0.00 55.95 58.38 1c80 s SER 158 Cb -0.11 -1.83 1.57 0.00 0.10 0.00 0.00 66.02 65.75 1c80 s SER 158 CO 0.21 -2.85 2.10 0.77 0.98 0.00 0.00 173.24 174.46 1c80 h SER 159 N -1.70 0.00 -0.01 7.02 4.64 -1.99 -1.96 113.55 119.56 1c80 h SER 159 Ca -0.52 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.78 1c80 h SER 159 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1c80 h SER 159 CO 0.58 0.09 -0.07 0.44 -0.87 0.00 0.00 176.83 177.01 1c80 h ASP 160 N 0.00 0.07 0.37 4.97 3.45 -2.03 -3.30 116.42 119.95 1c80 h ASP 160 Ca -0.00 -0.73 -0.06 0.00 0.43 0.00 0.00 57.03 56.67 1c80 h ASP 160 Cb 0.31 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 1c80 h ASP 160 CO 0.01 0.79 -0.28 -0.33 -1.57 0.00 0.00 179.24 177.85 1c80 h GLU 161 N -0.65 0.00 -0.18 3.56 5.08 -1.86 -3.34 114.58 117.20 1c80 h GLU 161 Ca -0.01 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1c80 h GLU 161 Cb 0.79 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.97 1c80 h GLU 161 CO 0.01 0.28 -0.40 1.25 -1.00 0.00 0.00 179.01 179.16 1c80 h LEU 162 N 0.00 -1.27 0.00 1.33 6.46 -1.43 -1.95 115.31 118.45 1c80 h LEU 162 Ca -0.00 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1c80 h LEU 162 Cb 0.55 0.53 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 1c80 h LEU 162 CO 0.04 -0.40 0.00 -2.65 -0.62 0.00 0.00 178.44 174.80 1c80 n PRO 163 N -5.43 0.07 -0.06 5.25 -0.02 -1.25 -2.14 135.00 131.42 1c80 n PRO 163 Ca -0.03 0.25 0.02 0.00 -2.02 0.00 0.00 63.50 61.72 1c80 n PRO 163 Cb 0.35 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.39 1c80 n PRO 163 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1c80 n TYR 164 N -1.30 0.15 -2.15 6.00 4.01 -0.75 -5.04 117.16 118.08 1c80 n TYR 164 Ca 0.02 -0.47 -0.39 0.00 -0.16 0.00 0.00 57.90 56.91 1c80 n TYR 164 Cb 0.04 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 1c80 n TYR 164 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1c80 s LEU 165 N -0.96 4.19 -0.53 7.72 1.43 -0.91 -4.93 118.68 124.70 1c80 s LEU 165 Ca 0.08 2.52 -0.28 0.00 -1.03 0.00 0.00 54.13 55.42 1c80 s LEU 165 Cb 0.04 -3.97 0.00 0.00 0.03 0.00 0.00 46.19 42.30 1c80 s LEU 165 CO 0.05 -0.81 1.53 -0.54 0.23 0.00 0.00 176.35 176.82 1c80 s LYS 166 N -2.29 3.23 -0.50 1.70 1.02 -1.26 -4.90 119.74 116.73 1c80 s LYS 166 Ca 0.58 0.64 0.08 0.00 0.02 0.00 0.00 55.97 57.28 1c80 s LYS 166 Cb -0.35 -4.17 0.29 0.00 -0.52 0.00 0.00 37.83 33.08 1c80 s LYS 166 CO 0.44 -2.02 0.71 0.00 -0.92 0.00 0.00 175.35 173.57 1c80 s PRO 168 N -2.27 1.64 0.46 0.00 0.04 -1.26 -4.82 135.00 128.78 1c80 s PRO 168 Ca 0.40 0.42 -0.21 0.00 0.04 0.00 0.00 61.00 61.65 1c80 s PRO 168 Cb 0.22 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.78 1c80 s PRO 168 CO -0.08 -1.88 1.00 -0.51 0.04 0.00 0.00 177.00 175.57 1c80 s LEU 169 N -5.87 3.91 -1.50 -3.56 1.43 -1.26 -3.87 118.68 107.96 1c80 s LEU 169 Ca 0.62 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 1c80 s LEU 169 Cb -0.14 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.56 1c80 s LEU 169 CO 0.53 -0.58 0.00 1.41 0.23 0.00 0.00 176.35 177.94 1c80 n HIS 170 N -0.75 -0.20 -4.48 0.29 8.25 -1.26 -4.95 115.22 112.11 1c80 n HIS 170 Ca 0.08 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.22 1c80 n HIS 170 Cb 0.53 -2.78 -0.16 0.00 1.12 0.00 0.00 29.99 28.70 1c80 n HIS 170 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1c80 s THR 171 N -2.61 1.99 -0.26 1.59 2.01 -1.25 -0.71 115.64 116.40 1c80 s THR 171 Ca 0.00 -0.93 -0.10 0.00 0.31 0.00 0.00 61.69 60.97 1c80 s THR 171 Cb 0.00 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 1c80 s THR 171 CO 0.00 0.53 0.16 -0.69 -0.69 0.00 0.00 174.62 173.93 1c80 s VAL 172 N 0.98 5.13 -0.37 3.82 1.01 0.71 -4.45 120.40 127.22 1c80 s VAL 172 Ca -0.03 0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 1c80 s VAL 172 Cb -0.15 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 1c80 s VAL 172 CO -0.05 0.29 0.34 -0.76 0.00 0.00 0.00 175.10 174.92 1c80 s LEU 173 N 1.54 4.65 -0.45 3.92 1.43 0.84 -0.92 118.68 129.69 1c80 s LEU 173 Ca 0.07 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.52 1c80 s LEU 173 Cb -0.15 -2.27 0.04 0.00 0.03 0.00 0.00 46.19 43.84 1c80 s LEU 173 CO 0.08 -0.38 0.48 -0.75 0.23 0.00 0.00 176.35 176.01 1c80 s LYS 174 N 1.92 3.08 -0.13 1.70 2.20 -0.36 -0.58 119.74 127.57 1c80 s LYS 174 Ca 0.09 -0.90 -0.15 0.00 -0.36 0.00 0.00 55.97 54.66 1c80 s LYS 174 Cb -0.17 -4.03 -0.05 0.00 -1.51 0.00 0.00 37.83 32.07 1c80 s LYS 174 CO 0.11 -0.99 0.35 -0.51 -0.36 0.00 0.00 175.35 173.96 1c80 s LEU 175 N 2.19 4.28 -0.37 5.43 1.02 0.35 -1.83 118.68 129.75 1c80 s LEU 175 Ca 0.12 0.63 0.03 0.00 0.02 0.00 0.00 54.13 54.92 1c80 s LEU 175 Cb -0.19 -2.47 0.11 0.00 0.02 0.00 0.00 46.19 43.66 1c80 s LEU 175 CO 0.12 0.11 0.12 -0.89 0.02 0.00 0.00 176.35 175.83 1c80 s THR 176 N 0.30 1.87 0.19 5.49 2.01 -0.07 -0.12 115.64 125.30 1c80 s THR 176 Ca 0.20 -2.30 -0.32 0.00 0.31 0.00 0.00 61.69 59.58 1c80 s THR 176 Cb -0.14 -2.36 -0.12 0.00 0.01 0.00 0.00 72.50 69.89 1c80 s THR 176 CO 0.06 -0.69 1.74 -2.65 -0.69 0.00 0.00 174.62 172.39 1c80 n PRO 177 N 4.12 2.76 -4.35 4.92 -0.02 -1.26 -0.87 135.00 140.31 1c80 n PRO 177 Ca 0.03 1.00 -0.18 0.00 -2.02 0.00 0.00 63.50 62.33 1c80 n PRO 177 Cb 0.39 -2.85 -0.10 0.00 -0.02 0.00 0.00 33.50 30.92 1c80 n PRO 177 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1c80 s VAL 178 N 1.42 0.63 0.22 -1.45 -7.23 0.29 -4.90 120.40 109.39 1c80 s VAL 178 Ca 0.76 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.79 1c80 s VAL 178 Cb -0.51 -2.64 0.26 0.00 0.56 0.00 0.00 36.38 34.05 1c80 s VAL 178 CO 0.33 0.00 1.59 0.00 -0.31 0.00 0.00 175.10 176.72 1c80 h ALA 179 N 2.31 0.35 0.00 1.32 0.00 -2.03 0.12 119.26 121.32 1c80 h ALA 179 Ca -0.38 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1c80 h ALA 179 Cb 1.25 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1c80 h ALA 179 CO 0.61 -0.49 0.00 2.48 0.00 0.00 0.00 179.25 181.85 1c80 n TYR 180 N -5.49 0.88 0.00 0.00 0.18 -1.26 -4.98 117.16 106.50 1c80 n TYR 180 Ca 0.09 0.30 0.00 0.00 1.88 0.00 0.00 57.90 60.17 1c80 n TYR 180 Cb 0.38 -0.99 0.00 0.00 -0.38 0.00 0.00 39.34 38.35 1c80 n TYR 180 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1c80 n GLY 181 N 0.59 -0.93 3.35 -7.48 0.00 0.40 -5.11 105.19 96.02 1c80 n GLY 181 Ca 0.04 0.33 -0.07 0.00 0.00 0.00 0.00 46.02 46.32 1c80 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c80 s ARG 183 N 2.39 3.80 -0.02 0.00 0.52 -0.05 -4.86 118.95 120.73 1c80 s ARG 183 Ca -0.04 0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 55.85 1c80 s ARG 183 Cb -0.11 -2.23 0.01 0.00 0.52 0.00 0.00 34.95 33.14 1c80 s ARG 183 CO -0.14 -0.24 0.05 0.14 0.02 0.00 0.00 175.30 175.13 1c80 s VAL 184 N -2.65 -0.01 -0.02 3.52 -7.23 -1.26 -0.90 120.40 111.85 1c80 s VAL 184 Ca 0.55 0.04 0.04 0.00 -1.81 0.00 0.00 61.98 60.80 1c80 s VAL 184 Cb -0.10 -0.08 -0.01 0.00 0.56 0.00 0.00 36.38 36.75 1c80 s VAL 184 CO 0.36 0.02 -0.14 -0.70 -0.31 0.00 0.00 175.10 174.33 1c80 s GLU 185 N 0.25 1.27 -0.23 4.82 2.56 -0.76 -4.97 118.70 121.64 1c80 s GLU 185 Ca -0.02 -0.49 -0.07 0.00 0.00 0.00 0.00 54.97 54.39 1c80 s GLU 185 Cb -0.03 -1.18 -0.03 0.00 2.00 0.00 0.00 34.13 34.89 1c80 s GLU 185 CO -0.01 0.25 0.07 -1.12 -0.56 0.00 0.00 175.26 173.89 1c80 s SER 186 N -0.12 5.28 -0.26 -1.70 0.01 -1.26 -1.22 113.70 114.42 1c80 s SER 186 Ca 0.01 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.16 1c80 s SER 186 Cb -0.08 -1.94 0.05 0.00 0.21 0.00 0.00 66.02 64.27 1c80 s SER 186 CO 0.00 0.02 -0.08 -0.63 0.41 0.00 0.00 173.24 172.97 1c80 s ILE 187 N 1.27 2.48 -0.22 1.44 1.09 -0.10 -4.97 121.20 122.19 1c80 s ILE 187 Ca 0.05 -1.43 -0.16 0.00 -1.10 0.00 0.00 60.65 58.01 1c80 s ILE 187 Cb -0.15 -2.39 -0.04 0.00 -1.06 0.00 0.00 42.46 38.83 1c80 s ILE 187 CO 0.04 0.03 0.41 -0.47 -0.10 0.00 0.00 174.94 174.84 1c80 s TYR 188 N 1.19 3.34 -0.46 3.97 5.04 -1.26 -0.21 117.35 128.95 1c80 s TYR 188 Ca -0.06 0.58 -0.14 0.00 -2.44 0.00 0.00 57.07 55.01 1c80 s TYR 188 Cb -0.19 -2.56 0.08 0.00 0.35 0.00 0.00 41.96 39.64 1c80 s TYR 188 CO -0.04 -0.08 0.37 -0.51 -1.34 0.00 0.00 175.55 173.94 1c80 s LEU 189 N 1.57 5.55 -0.23 6.97 1.43 0.11 -5.02 118.68 129.07 1c80 s LEU 189 Ca 0.18 -1.42 -0.27 0.00 -1.03 0.00 0.00 54.13 51.60 1c80 s LEU 189 Cb -0.15 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1c80 s LEU 189 CO 0.08 -0.64 0.93 0.21 0.23 0.00 0.00 176.35 177.17 1c80 s ASN 190 N 2.55 6.98 0.00 2.29 3.84 -1.26 -4.85 114.94 124.49 1c80 s ASN 190 Ca 0.04 1.22 0.00 0.00 0.21 0.00 0.00 52.86 54.33 1c80 s ASN 190 Cb -0.24 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 1c80 s ASN 190 CO 0.05 -0.58 0.00 1.33 -2.79 0.00 0.00 177.10 175.11