#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1prt s ILE 5 N 0.00 2.39 -0.22 -0.61 1.01 -1.26 -4.47 121.20 118.04 1prt s ILE 5 Ca 0.00 -2.38 -0.20 0.00 0.00 0.00 0.00 60.65 58.07 1prt s ILE 5 Cb 0.00 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 1prt s ILE 5 CO 0.00 -0.41 0.60 -0.69 0.00 0.00 0.00 174.94 174.43 1prt s VAL 6 N -2.56 5.03 -0.25 2.92 1.01 0.02 -4.99 120.40 121.57 1prt s VAL 6 Ca 0.29 1.10 -0.11 0.00 0.00 0.00 0.00 61.98 63.27 1prt s VAL 6 Cb -0.04 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1prt s VAL 6 CO 0.14 0.09 0.17 -0.63 0.00 0.00 0.00 175.10 174.87 1prt s ILE 7 N 2.09 5.32 0.18 2.22 1.09 -1.26 -4.67 121.20 126.16 1prt s ILE 7 Ca 0.26 0.17 -0.31 0.00 -1.10 0.00 0.00 60.65 59.67 1prt s ILE 7 Cb -0.16 -3.50 -0.10 0.00 -1.06 0.00 0.00 42.46 37.65 1prt s ILE 7 CO 0.09 0.32 1.48 -2.84 -0.10 0.00 0.00 174.94 173.90 1prt s PRO 8 N 1.28 4.26 0.72 2.79 0.02 -1.26 -4.95 135.00 137.87 1prt s PRO 8 Ca 0.07 2.28 -0.16 0.00 0.02 0.00 0.00 61.00 63.21 1prt s PRO 8 Cb -0.14 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.23 1prt s PRO 8 CO 0.07 -0.50 1.00 -2.30 -0.33 0.00 0.00 177.00 174.93 1prt n PRO 9 N 3.42 0.52 -0.29 5.54 -0.02 -1.26 -4.85 135.00 138.06 1prt n PRO 9 Ca 0.11 0.24 0.20 0.00 -2.02 0.00 0.00 63.50 62.02 1prt n PRO 9 Cb 0.40 -2.26 0.48 0.00 -0.02 0.00 0.00 33.50 32.10 1prt n PRO 9 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1prt h GLN 10 N -0.25 0.45 0.00 -0.52 4.15 -1.94 0.23 115.11 117.22 1prt h GLN 10 Ca -0.47 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1prt h GLN 10 Cb 1.33 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1prt h GLN 10 CO 0.47 0.29 0.00 -0.85 -1.93 0.00 0.00 178.83 176.82 1prt n GLU 11 N -4.59 0.14 -0.53 1.69 0.00 -1.26 -3.37 120.64 112.72 1prt n GLU 11 Ca 0.22 0.14 -0.01 0.00 0.00 0.00 0.00 57.16 57.51 1prt n GLU 11 Cb 0.75 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.69 1prt n GLU 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1prt n GLN 12 N -1.39 1.06 -4.13 3.44 1.13 0.81 -4.80 117.38 113.50 1prt n GLN 12 Ca 0.07 -0.11 -0.15 0.00 -1.94 0.00 0.00 57.00 54.86 1prt n GLN 12 Cb 0.19 -1.05 -0.14 0.00 0.11 0.00 0.00 30.24 29.34 1prt n GLN 12 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1prt s ILE 13 N -0.13 0.37 0.46 5.09 2.07 -1.22 -0.85 121.20 126.99 1prt s ILE 13 Ca 0.03 -0.20 -0.24 0.00 -1.41 0.00 0.00 60.65 58.83 1prt s ILE 13 Cb 0.02 -0.31 -0.07 0.00 0.13 0.00 0.00 42.46 42.22 1prt s ILE 13 CO -0.00 0.10 1.24 0.42 -1.91 0.00 0.00 174.94 174.79 1prt s THR 14 N -0.10 2.79 0.02 4.00 -4.23 -0.56 -4.86 115.64 112.70 1prt s THR 14 Ca 0.02 0.63 -0.27 0.00 -1.18 0.00 0.00 61.69 60.89 1prt s THR 14 Cb -0.02 -3.34 -0.16 0.00 1.34 0.00 0.00 72.50 70.32 1prt s THR 14 CO -0.00 0.03 1.27 0.06 -0.54 0.00 0.00 174.62 175.44 1prt h GLN 15 N 2.16 -0.63 -5.46 3.99 3.07 -1.99 -3.42 115.11 112.84 1prt h GLN 15 Ca -0.50 0.04 -0.65 0.00 0.09 0.00 0.00 58.65 57.64 1prt h GLN 15 Cb 1.26 0.14 -0.21 0.00 0.08 0.00 0.00 27.48 28.75 1prt h GLN 15 CO 0.60 -0.32 -0.67 -1.01 0.09 0.00 0.00 178.83 177.52 1prt s HIS 16 N -4.93 3.02 1.26 0.06 3.76 -1.26 -5.10 115.29 112.10 1prt s HIS 16 Ca -0.15 -0.22 -0.21 0.00 -0.15 0.00 0.00 55.06 54.33 1prt s HIS 16 Cb 0.02 -1.91 0.31 0.00 1.11 0.00 0.00 32.58 32.11 1prt s HIS 16 CO 0.52 0.05 1.08 0.20 -0.85 0.00 0.00 174.74 175.75 1prt s GLY 17 N 0.11 1.56 0.22 -2.22 0.00 -1.26 -4.91 107.32 100.81 1prt s GLY 17 Ca -0.01 -1.00 0.09 0.00 0.00 0.00 0.00 44.72 43.80 1prt s GLY 17 CO 0.03 -0.06 -0.05 -0.56 0.00 0.00 0.00 173.10 172.45 1prt s SER 18 N -3.84 4.40 0.44 1.64 0.01 0.12 -4.85 113.70 111.62 1prt s SER 18 Ca 0.71 -0.61 -0.09 0.00 1.31 0.00 0.00 55.95 57.27 1prt s SER 18 Cb -0.09 -0.79 -0.06 0.00 0.21 0.00 0.00 66.02 65.30 1prt s SER 18 CO 0.56 0.06 0.80 -2.16 0.41 0.00 0.00 173.24 172.91 1prt s PRO 19 N -3.23 3.71 -1.08 12.44 0.04 -1.26 -0.13 135.00 145.50 1prt s PRO 19 Ca 0.28 0.44 -0.05 0.00 0.04 0.00 0.00 61.00 61.71 1prt s PRO 19 Cb -0.08 -2.35 0.04 0.00 0.04 0.00 0.00 34.50 32.14 1prt s PRO 19 CO 0.18 -0.13 0.25 0.66 0.04 0.00 0.00 177.00 177.99 1prt n TYR 20 N -1.66 -1.65 -0.96 0.56 4.01 -1.25 -1.04 117.16 115.16 1prt n TYR 20 Ca 0.02 0.24 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1prt n TYR 20 Cb 0.54 -2.70 0.00 0.00 -0.31 0.00 0.00 39.34 36.87 1prt n TYR 20 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1prt n GLY 21 N -0.96 0.13 3.22 2.72 0.00 -1.24 -4.91 105.19 104.15 1prt n GLY 21 Ca -0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 1prt n GLY 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1prt n ARG 22 N -0.14 3.56 -1.85 1.61 0.00 -0.21 -4.96 116.66 114.67 1prt n ARG 22 Ca 0.00 -3.86 -0.41 0.00 -0.00 0.00 0.00 57.85 53.58 1prt n ARG 22 Cb 0.34 -2.91 -0.01 0.00 0.00 0.00 0.00 32.46 29.88 1prt n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1prt n ALA 24 N 1.53 -2.54 -1.74 0.00 0.00 -1.26 -4.83 120.51 111.68 1prt n ALA 24 Ca 0.05 -1.05 -0.38 0.00 0.00 0.00 0.00 53.44 52.06 1prt n ALA 24 Cb 0.39 -2.01 0.05 0.00 0.00 0.00 0.00 19.45 17.88 1prt n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1prt n ASN 25 N -4.53 2.48 0.00 0.00 3.02 -1.26 -1.51 115.26 113.46 1prt n ASN 25 Ca 0.05 0.93 0.00 0.00 -0.03 0.00 0.00 54.58 55.53 1prt n ASN 25 Cb 0.54 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 1prt n ASN 25 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1prt n LYS 26 N -1.27 -0.01 -4.40 3.52 5.02 -1.26 -4.98 118.16 114.78 1prt n LYS 26 Ca 0.12 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.22 1prt n LYS 26 Cb 0.46 -2.95 -0.10 0.00 -0.02 0.00 0.00 35.03 32.41 1prt n LYS 26 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1prt s THR 27 N -3.30 1.04 -0.09 -0.18 -4.23 -0.57 -2.13 115.64 106.18 1prt s THR 27 Ca 0.00 -2.01 -0.30 0.00 -1.18 0.00 0.00 61.69 58.20 1prt s THR 27 Cb 0.00 -2.68 0.08 0.00 1.34 0.00 0.00 72.50 71.24 1prt s THR 27 CO 0.00 -0.06 0.75 -0.60 -0.54 0.00 0.00 174.62 174.16 1prt s ARG 28 N -3.91 0.95 0.26 3.99 3.00 -0.04 -4.60 118.95 118.60 1prt s ARG 28 Ca 0.35 0.32 -0.30 0.00 -1.00 0.00 0.00 55.73 55.10 1prt s ARG 28 Cb 0.08 0.45 -0.14 0.00 0.00 0.00 0.00 34.95 35.34 1prt s ARG 28 CO 0.14 -0.28 1.20 0.00 0.00 0.00 0.00 175.30 176.36 1prt n ALA 29 N 1.08 0.25 -1.76 6.12 0.00 -1.26 -0.46 120.51 124.48 1prt n ALA 29 Ca -0.17 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.28 1prt n ALA 29 Cb 0.57 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.84 1prt n ALA 29 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1prt s LEU 30 N 0.16 4.54 0.71 0.00 2.96 0.31 -4.65 118.68 122.71 1prt s LEU 30 Ca 0.64 2.05 -0.03 0.00 -0.22 0.00 0.00 54.13 56.57 1prt s LEU 30 Cb -0.70 -3.71 0.11 0.00 0.50 0.00 0.00 46.19 42.39 1prt s LEU 30 CO 0.56 -0.02 0.98 0.42 -1.32 0.00 0.00 176.35 176.97 1prt s THR 31 N -1.27 2.25 -0.04 3.68 -4.23 -1.26 -1.17 115.64 113.60 1prt s THR 31 Ca 0.45 -0.51 -0.17 0.00 -1.18 0.00 0.00 61.69 60.28 1prt s THR 31 Cb -0.27 -2.74 -0.11 0.00 1.34 0.00 0.00 72.50 70.72 1prt s THR 31 CO 0.34 0.00 0.73 0.58 -0.54 0.00 0.00 174.62 175.72 1prt h VAL 32 N -0.52 0.32 -0.08 2.29 2.07 -1.96 -0.74 116.25 117.63 1prt h VAL 32 Ca -0.39 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.36 1prt h VAL 32 Cb 1.28 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1prt h VAL 32 CO 0.45 0.08 0.08 0.00 0.02 0.00 0.00 177.57 178.20 1prt h ALA 33 N -0.81 1.72 0.03 1.67 0.00 -1.95 0.81 119.26 120.73 1prt h ALA 33 Ca -0.04 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1prt h ALA 33 Cb 0.45 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1prt h ALA 33 CO 0.07 -0.12 -0.41 0.93 0.00 0.00 0.00 179.25 179.72 1prt h GLU 34 N 0.00 0.22 -0.29 0.00 5.08 -1.91 -3.06 114.58 114.62 1prt h GLU 34 Ca 0.04 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 1prt h GLU 34 Cb 0.19 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1prt h GLU 34 CO -0.00 1.05 -0.22 1.25 -1.00 0.00 0.00 179.01 180.09 1prt h LEU 35 N -0.48 0.69 0.00 1.33 5.85 -0.11 -2.85 115.31 119.75 1prt h LEU 35 Ca -0.06 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1prt h LEU 35 Cb 1.22 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1prt h LEU 35 CO 0.08 0.99 0.02 -1.14 -0.34 0.00 0.00 178.44 178.05 1prt n ARG 36 N -4.34 0.00 -0.09 1.25 0.63 0.27 -1.01 116.66 113.37 1prt n ARG 36 Ca -0.04 0.39 0.07 0.00 -0.92 0.00 0.00 57.85 57.35 1prt n ARG 36 Cb 0.42 -1.52 0.09 0.00 0.45 0.00 0.00 32.46 31.90 1prt n ARG 36 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1prt n GLY 37 N -1.38 3.85 3.03 5.14 0.00 -1.08 -4.97 105.19 109.77 1prt n GLY 37 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 1prt n GLY 37 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1prt s SER 38 N -2.23 4.56 0.10 1.61 0.15 -0.18 -4.98 113.70 112.73 1prt s SER 38 Ca 0.21 -1.77 -0.22 0.00 0.70 0.00 0.00 55.95 54.88 1prt s SER 38 Cb 0.19 -1.54 -0.12 0.00 -1.71 0.00 0.00 66.02 62.83 1prt s SER 38 CO 0.02 -0.29 1.74 1.23 1.20 0.00 0.00 173.24 177.14 1prt h GLY 39 N 7.71 0.08 0.56 9.45 0.00 -1.94 -2.00 103.07 116.93 1prt h GLY 39 Ca -0.11 -0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.30 1prt h GLY 39 CO 0.49 0.01 0.62 -0.55 0.00 0.00 0.00 176.54 177.11 1prt h ASP 40 N 0.06 0.94 -0.04 0.19 5.19 -1.96 -1.62 116.42 119.18 1prt h ASP 40 Ca 0.03 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1prt h ASP 40 Cb 0.01 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.36 1prt h ASP 40 CO -0.02 0.53 -0.02 0.25 -3.12 0.00 0.00 179.24 176.86 1prt h LEU 41 N 1.03 0.08 0.38 1.55 5.85 -1.86 -0.25 115.31 122.09 1prt h LEU 41 Ca 0.47 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1prt h LEU 41 Cb 0.38 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1prt h LEU 41 CO -0.24 0.48 -0.23 1.56 -0.34 0.00 0.00 178.44 179.67 1prt h GLN 42 N -0.32 -0.57 -0.01 1.25 4.20 -1.14 0.10 115.11 118.63 1prt h GLN 42 Ca 0.01 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1prt h GLN 42 Cb 0.45 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 1prt h GLN 42 CO 0.01 -0.38 -0.46 1.49 -0.67 0.00 0.00 178.83 178.82 1prt h GLU 43 N -0.59 -0.55 -0.95 1.46 4.57 -1.38 0.19 114.58 117.34 1prt h GLU 43 Ca -0.04 0.04 0.23 0.00 -1.18 0.00 0.00 59.36 58.41 1prt h GLU 43 Cb 0.49 0.13 -0.18 0.00 -0.16 0.00 0.00 28.75 29.03 1prt h GLU 43 CO 0.04 -0.37 -0.05 -0.92 -1.18 0.00 0.00 179.01 176.52 1prt h TYR 44 N -0.57 -0.18 0.12 0.92 3.20 -0.79 -0.38 116.97 119.27 1prt h TYR 44 Ca 0.01 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1prt h TYR 44 Cb 0.62 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1prt h TYR 44 CO -0.50 -0.40 -0.06 -0.07 -1.64 0.00 0.00 178.16 175.49 1prt h LEU 45 N 0.02 -0.13 -1.06 2.82 3.38 0.11 -2.86 115.31 117.59 1prt h LEU 45 Ca 0.53 -0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.45 1prt h LEU 45 Cb 1.00 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 1prt h LEU 45 CO -0.91 0.12 0.62 0.03 0.09 0.00 0.00 178.44 178.40 1prt h ARG 46 N -0.39 0.85 -0.04 1.13 3.08 0.86 0.11 114.38 119.97 1prt h ARG 46 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1prt h ARG 46 Cb 0.32 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1prt h ARG 46 CO 0.03 0.56 0.00 1.58 -1.07 0.00 0.00 179.97 181.07 1prt n HIS 47 N -4.65 0.05 -1.79 3.04 -0.00 -0.46 -3.89 115.22 107.53 1prt n HIS 47 Ca 0.20 -0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.35 1prt n HIS 47 Cb 0.44 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 1prt n HIS 47 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1prt n VAL 48 N -0.50 0.00 -3.96 3.57 3.14 0.09 -5.05 118.33 115.61 1prt n VAL 48 Ca 0.10 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.15 1prt n VAL 48 Cb 0.09 0.38 -0.14 0.00 -1.06 0.00 0.00 33.84 33.11 1prt n VAL 48 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1prt s THR 49 N 0.00 2.63 0.11 1.55 2.01 0.14 -5.01 115.64 117.08 1prt s THR 49 Ca 0.00 -1.73 0.02 0.00 0.31 0.00 0.00 61.69 60.29 1prt s THR 49 Cb 0.00 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1prt s THR 49 CO 0.00 -0.24 0.23 -0.13 -0.69 0.00 0.00 174.62 173.78 1prt s ARG 50 N 1.13 3.34 0.75 4.92 1.81 -1.26 -1.58 118.95 128.06 1prt s ARG 50 Ca -0.02 -0.58 0.00 0.00 -1.72 0.00 0.00 55.73 53.41 1prt s ARG 50 Cb -0.20 -2.94 0.00 0.00 -0.45 0.00 0.00 34.95 31.36 1prt s ARG 50 CO -0.04 0.55 0.00 0.41 -0.68 0.00 0.00 175.30 175.54 1prt n GLY 51 N -0.16 -2.07 2.61 -3.53 0.00 -1.26 -4.19 105.19 96.59 1prt n GLY 51 Ca -0.07 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 1prt n GLY 51 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1prt n TRP 52 N -0.06 2.03 -4.08 1.61 7.02 -1.26 -0.04 117.44 122.67 1prt n TRP 52 Ca 0.00 -2.08 -0.34 0.00 -1.02 0.00 0.00 57.50 54.05 1prt n TRP 52 Cb 0.00 -1.34 -0.07 0.00 -2.42 0.00 0.00 31.31 27.48 1prt n TRP 52 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1prt s SER 53 N -0.07 5.85 0.01 -0.99 1.04 -1.26 -5.00 113.70 113.28 1prt s SER 53 Ca 0.57 0.26 0.07 0.00 0.48 0.00 0.00 55.95 57.32 1prt s SER 53 Cb 0.39 -1.76 -0.03 0.00 0.10 0.00 0.00 66.02 64.72 1prt s SER 53 CO -0.27 0.33 -0.19 -0.63 0.98 0.00 0.00 173.24 173.46 1prt s ILE 54 N -1.10 2.68 0.16 -1.02 1.01 -1.26 -1.29 121.20 120.37 1prt s ILE 54 Ca 0.19 -1.07 0.10 0.00 0.00 0.00 0.00 60.65 59.88 1prt s ILE 54 Cb -0.12 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1prt s ILE 54 CO 0.09 0.45 -0.23 -0.36 0.00 0.00 0.00 174.94 174.89 1prt s PHE 55 N -0.81 2.13 -0.02 3.97 0.40 0.33 -4.73 117.98 119.25 1prt s PHE 55 Ca 0.13 -0.39 -0.20 0.00 -0.60 0.00 0.00 56.93 55.87 1prt s PHE 55 Cb -0.10 -1.09 -0.05 0.00 0.51 0.00 0.00 43.02 42.28 1prt s PHE 55 CO 0.03 0.38 0.56 0.00 0.70 0.00 0.00 175.22 176.89 1prt s ALA 56 N -1.52 3.50 0.45 5.36 0.00 0.18 0.03 121.76 129.75 1prt s ALA 56 Ca 0.16 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.16 1prt s ALA 56 Cb -0.08 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1prt s ALA 56 CO 0.07 0.17 0.18 -0.51 0.00 0.00 0.00 175.76 175.68 1prt s LEU 57 N -0.15 2.92 0.06 0.00 1.43 0.79 0.21 118.68 123.94 1prt s LEU 57 Ca 0.30 -1.21 -0.37 0.00 -1.03 0.00 0.00 54.13 51.82 1prt s LEU 57 Cb -0.18 -1.26 -0.20 0.00 0.03 0.00 0.00 46.19 44.58 1prt s LEU 57 CO 0.16 -0.67 1.55 0.22 0.23 0.00 0.00 176.35 177.84 1prt h TYR 58 N 1.33 -1.23 -0.90 0.29 3.20 -1.41 -3.29 116.97 114.95 1prt h TYR 58 Ca -0.42 -0.03 -0.51 0.00 3.14 0.00 0.00 58.73 60.91 1prt h TYR 58 Cb 1.27 0.41 -0.28 0.00 1.54 0.00 0.00 36.73 39.67 1prt h TYR 58 CO 0.82 -0.77 0.55 -0.40 -1.64 0.00 0.00 178.16 176.73 1prt n ASP 59 N -5.57 4.45 0.00 -2.11 5.75 -1.26 -1.14 116.55 116.67 1prt n ASP 59 Ca -0.16 -3.68 0.00 0.00 -0.01 0.00 0.00 54.79 50.93 1prt n ASP 59 Cb 0.52 -0.83 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 1prt n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1prt n GLY 60 N -1.08 -0.59 3.16 6.12 0.00 -1.24 -0.47 105.19 111.09 1prt n GLY 60 Ca 0.56 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 1prt n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1prt s THR 61 N -3.00 0.88 -0.30 2.61 -4.23 0.48 -0.15 115.64 111.93 1prt s THR 61 Ca 0.00 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 1prt s THR 61 Cb 0.00 -1.32 0.09 0.00 1.34 0.00 0.00 72.50 72.61 1prt s THR 61 CO 0.00 -0.57 0.05 -0.47 -0.54 0.00 0.00 174.62 173.09 1prt s TYR 62 N -2.45 2.37 -0.60 3.99 5.04 0.10 -0.21 117.35 125.60 1prt s TYR 62 Ca 0.05 -2.04 -0.25 0.00 -2.44 0.00 0.00 57.07 52.38 1prt s TYR 62 Cb -0.03 -1.98 0.04 0.00 0.35 0.00 0.00 41.96 40.34 1prt s TYR 62 CO -0.00 -0.86 1.05 -0.51 -1.34 0.00 0.00 175.55 173.89 1prt s LEU 63 N 1.39 3.85 0.00 6.97 1.02 0.42 -0.51 118.68 131.82 1prt s LEU 63 Ca 0.06 -0.32 0.00 0.00 0.02 0.00 0.00 54.13 53.89 1prt s LEU 63 Cb -0.18 -2.83 0.00 0.00 0.02 0.00 0.00 46.19 43.20 1prt s LEU 63 CO -0.16 -1.40 0.00 0.61 0.02 0.00 0.00 176.35 175.43 1prt n GLY 64 N 5.16 2.42 7.00 -3.19 0.00 -0.41 -0.64 105.19 115.53 1prt n GLY 64 Ca 0.03 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1prt n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1prt n GLY 65 N 5.00 1.97 0.13 -0.02 0.00 -0.61 -0.83 105.19 110.82 1prt n GLY 65 Ca 0.00 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.71 1prt n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1prt n GLU 66 N 11.08 0.10 0.25 1.61 4.71 0.95 -0.89 120.64 138.44 1prt n GLU 66 Ca 0.00 0.57 0.16 0.00 -0.01 0.00 0.00 57.16 57.88 1prt n GLU 66 Cb 0.00 -1.91 0.59 0.00 -1.01 0.00 0.00 31.44 29.11 1prt n GLU 66 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 1prt h TYR 67 N 0.00 0.00 0.00 -0.32 0.05 -1.15 -3.48 116.97 112.07 1prt h TYR 67 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1prt h TYR 67 Cb 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1prt h TYR 67 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1prt n GLY 68 N 0.20 2.45 0.00 3.88 0.00 -0.06 -4.55 105.19 107.11 1prt n GLY 68 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1prt n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1prt n GLY 69 N 0.00 0.00 3.72 -0.02 0.00 -0.91 -4.59 105.19 103.39 1prt n GLY 69 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1prt n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1prt s VAL 70 N 0.00 5.15 -0.31 1.61 1.01 0.19 -4.91 120.40 123.15 1prt s VAL 70 Ca 0.00 1.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.92 1prt s VAL 70 Cb 0.00 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1prt s VAL 70 CO 0.00 0.30 0.26 -0.63 0.00 0.00 0.00 175.10 175.03 1prt s ILE 71 N 0.73 5.26 -0.17 2.22 1.01 -1.26 -0.44 121.20 128.55 1prt s ILE 71 Ca 0.28 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 61.00 1prt s ILE 71 Cb -0.16 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1prt s ILE 71 CO 0.12 0.10 -0.11 -0.75 0.00 0.00 0.00 174.94 174.30 1prt s LYS 72 N 1.83 3.32 0.67 2.79 2.20 0.70 -5.00 119.74 126.25 1prt s LYS 72 Ca 0.08 -0.69 -0.17 0.00 -0.36 0.00 0.00 55.97 54.84 1prt s LYS 72 Cb -0.16 -2.76 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 1prt s LYS 72 CO 0.11 -0.01 1.28 -0.51 -0.36 0.00 0.00 175.35 175.86 1prt s ASP 73 N 0.93 4.42 0.00 1.43 1.01 -1.26 -0.39 116.67 122.81 1prt s ASP 73 Ca -0.02 2.58 0.00 0.00 0.71 0.00 0.00 52.55 55.82 1prt s ASP 73 Cb -0.15 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1prt s ASP 73 CO -0.01 -2.12 0.00 0.61 0.21 0.00 0.00 175.17 173.86 1prt n GLY 74 N 0.83 4.79 2.95 0.21 0.00 0.38 -4.67 105.19 109.68 1prt n GLY 74 Ca 0.15 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 1prt n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1prt s THR 75 N 3.27 0.13 -0.09 2.61 2.01 -1.23 -4.82 115.64 117.53 1prt s THR 75 Ca 0.00 -0.54 -0.33 0.00 0.31 0.00 0.00 61.69 61.13 1prt s THR 75 Cb 0.00 -0.21 -0.10 0.00 0.01 0.00 0.00 72.50 72.20 1prt s THR 75 CO 0.00 -0.26 1.96 -0.81 -0.69 0.00 0.00 174.62 174.82 1prt n PRO 76 N 2.23 2.28 -0.84 4.92 -0.04 -1.26 -0.74 135.00 141.54 1prt n PRO 76 Ca -0.19 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1prt n PRO 76 Cb 0.57 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1prt n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1prt n GLY 77 N 4.70 0.25 0.26 0.55 0.00 -0.29 -4.84 105.19 105.83 1prt n GLY 77 Ca 0.24 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.40 1prt n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1prt h GLY 78 N 0.00 0.00 -2.02 -0.02 0.00 -1.11 -2.87 103.07 97.05 1prt h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1prt h GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1prt n ALA 79 N -2.18 2.78 0.76 3.60 0.00 -1.26 -4.34 120.51 119.87 1prt n ALA 79 Ca -0.01 -1.69 0.08 0.00 0.00 0.00 0.00 53.44 51.82 1prt n ALA 79 Cb 0.30 -0.73 0.40 0.00 0.00 0.00 0.00 19.45 19.41 1prt n ALA 79 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1prt n PHE 80 N 0.39 0.00 -0.09 0.00 3.01 -1.08 -2.06 117.46 117.63 1prt n PHE 80 Ca 0.20 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.74 1prt n PHE 80 Cb 0.75 -0.24 0.44 0.00 -0.01 0.00 0.00 39.48 40.42 1prt n PHE 80 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1prt h ASP 81 N 0.00 0.47 -4.02 4.37 1.82 -1.82 -3.29 116.42 113.95 1prt h ASP 81 Ca 0.00 0.00 -0.45 0.00 -0.39 0.00 0.00 57.03 56.19 1prt h ASP 81 Cb 0.12 -0.10 0.15 0.00 0.68 0.00 0.00 39.33 40.18 1prt h ASP 81 CO 0.00 0.31 0.24 -0.76 -1.61 0.00 0.00 179.24 177.42 1prt s LEU 82 N -9.48 1.73 0.25 2.28 1.02 -0.87 -4.97 118.68 108.64 1prt s LEU 82 Ca -0.08 1.05 0.06 0.00 0.02 0.00 0.00 54.13 55.18 1prt s LEU 82 Cb 0.19 -3.28 0.29 0.00 0.02 0.00 0.00 46.19 43.41 1prt s LEU 82 CO 0.75 -2.92 1.58 0.11 0.02 0.00 0.00 176.35 175.89 1prt h LYS 83 N -1.75 0.19 -3.55 1.70 1.57 -1.88 -3.34 116.57 109.52 1prt h LYS 83 Ca -0.53 -0.13 -0.27 0.00 -1.87 0.00 0.00 60.65 57.85 1prt h LYS 83 Cb 1.33 0.02 -0.32 0.00 0.08 0.00 0.00 32.23 33.34 1prt h LYS 83 CO 0.59 0.73 -0.71 0.99 -0.57 0.00 0.00 179.45 180.48 1prt s THR 84 N -3.76 -0.04 0.08 -0.16 2.01 -1.26 -3.99 115.64 108.52 1prt s THR 84 Ca -0.03 0.16 0.08 0.00 0.31 0.00 0.00 61.69 62.20 1prt s THR 84 Cb 0.12 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.52 1prt s THR 84 CO 0.79 0.06 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.71 1prt s THR 85 N 0.79 2.80 -0.22 -0.82 2.01 0.81 0.50 115.64 121.51 1prt s THR 85 Ca -0.07 -1.35 -0.17 0.00 0.31 0.00 0.00 61.69 60.42 1prt s THR 85 Cb -0.09 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1prt s THR 85 CO -0.02 0.22 0.45 -0.36 -0.69 0.00 0.00 174.62 174.22 1prt s PHE 86 N -1.03 3.33 -0.10 4.92 0.08 0.13 -0.70 117.98 124.60 1prt s PHE 86 Ca 0.16 0.63 0.01 0.00 0.12 0.00 0.00 56.93 57.86 1prt s PHE 86 Cb -0.11 -2.62 -0.02 0.00 -0.57 0.00 0.00 43.02 39.71 1prt s PHE 86 CO 0.08 -0.13 -0.14 0.00 -0.10 0.00 0.00 175.22 174.93 1prt s ILE 88 N 0.03 5.41 0.40 0.00 1.09 0.40 -1.50 121.20 127.02 1prt s ILE 88 Ca -0.05 0.28 -0.24 0.00 -1.10 0.00 0.00 60.65 59.54 1prt s ILE 88 Cb -0.14 -3.49 -0.09 0.00 -1.06 0.00 0.00 42.46 37.68 1prt s ILE 88 CO 0.04 0.49 1.08 -0.04 -0.10 0.00 0.00 174.94 176.41 1prt s MET 89 N -0.05 4.14 0.00 2.79 -1.94 -0.03 -0.86 119.30 123.35 1prt s MET 89 Ca 0.12 1.60 0.25 0.00 -1.71 0.00 0.00 55.69 55.95 1prt s MET 89 Cb -0.12 -2.59 0.43 0.00 2.01 0.00 0.00 34.83 34.56 1prt s MET 89 CO 0.01 -0.19 1.39 0.25 -0.01 0.00 0.00 175.02 176.48 1prt n THR 90 N -0.01 0.01 -3.99 2.05 -2.24 -0.91 -4.80 114.28 104.40 1prt n THR 90 Ca 0.05 -0.44 -0.34 0.00 -2.27 0.00 0.00 64.05 61.05 1prt n THR 90 Cb 0.49 1.21 -0.15 0.00 -2.10 0.00 0.00 70.33 69.78 1prt n THR 90 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1prt s THR 91 N -1.99 2.86 -0.23 4.28 2.01 -1.26 -1.05 115.64 120.26 1prt s THR 91 Ca 0.31 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.62 1prt s THR 91 Cb 0.20 -2.29 0.05 0.00 0.01 0.00 0.00 72.50 70.47 1prt s THR 91 CO 0.31 0.44 -0.14 -0.60 -0.69 0.00 0.00 174.62 173.94 1prt s ARG 92 N 1.40 2.43 -1.14 4.92 3.52 0.20 -5.00 118.95 125.29 1prt s ARG 92 Ca 0.05 -1.14 -0.22 0.00 -0.13 0.00 0.00 55.73 54.30 1prt s ARG 92 Cb -0.14 -2.74 -0.01 0.00 -1.56 0.00 0.00 34.95 30.50 1prt s ARG 92 CO -0.07 -0.45 1.79 -0.80 -0.81 0.00 0.00 175.30 174.97 1prt s ASN 93 N 1.19 5.84 0.52 -2.12 0.02 -1.26 -1.24 114.94 117.89 1prt s ASN 93 Ca -0.04 -1.67 0.36 0.00 -1.02 0.00 0.00 52.86 50.49 1prt s ASN 93 Cb -0.18 -2.58 1.52 0.00 0.02 0.00 0.00 41.25 40.04 1prt s ASN 93 CO -0.08 -2.18 1.74 0.74 0.02 0.00 0.00 177.10 177.34 1prt h THR 94 N 6.31 0.32 -0.26 1.60 2.02 -1.77 -3.46 112.91 117.67 1prt h THR 94 Ca 0.26 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 67.31 1prt h THR 94 Cb 0.94 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 1prt h THR 94 CO 1.33 0.01 -0.10 0.61 0.37 0.00 0.00 175.52 177.73 1prt n GLY 95 N -1.74 0.77 3.96 2.16 0.00 -1.24 -5.01 105.19 104.09 1prt n GLY 95 Ca 0.30 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1prt n GLY 95 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1prt s GLN 96 N -2.03 1.05 0.41 1.61 -0.21 -1.26 -5.06 119.66 114.17 1prt s GLN 96 Ca 0.00 -0.74 -0.06 0.00 0.02 0.00 0.00 55.36 54.57 1prt s GLN 96 Cb 0.00 -2.06 -0.05 0.00 1.00 0.00 0.00 33.01 31.91 1prt s GLN 96 CO 0.00 -2.02 0.71 -1.25 -2.12 0.00 0.00 175.29 170.61 1prt s PRO 97 N -5.57 3.62 0.00 2.91 0.04 -1.26 -4.59 135.00 130.15 1prt s PRO 97 Ca 0.71 0.19 -0.02 0.00 0.04 0.00 0.00 61.00 61.92 1prt s PRO 97 Cb -0.04 -2.46 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 1prt s PRO 97 CO 0.49 -0.04 2.15 0.00 0.04 0.00 0.00 177.00 179.65 1prt n ALA 98 N -1.67 4.22 -1.77 8.56 0.00 -1.26 -4.42 120.51 124.16 1prt n ALA 98 Ca 0.00 -0.54 -0.38 0.00 0.00 0.00 0.00 53.44 52.53 1prt n ALA 98 Cb 0.55 -1.58 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 1prt n ALA 98 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1prt s THR 99 N 0.72 4.01 0.32 0.00 -4.23 -1.26 -5.00 115.64 110.19 1prt s THR 99 Ca 0.20 1.72 -0.28 0.00 -1.18 0.00 0.00 61.69 62.15 1prt s THR 99 Cb 0.09 -3.98 -0.09 0.00 1.34 0.00 0.00 72.50 69.87 1prt s THR 99 CO 0.00 0.18 1.06 -0.62 -0.54 0.00 0.00 174.62 174.70 1prt s ASP 100 N -1.47 7.15 -0.01 3.99 2.15 -1.26 -4.51 116.67 122.71 1prt s ASP 100 Ca 0.50 2.13 0.01 0.00 0.43 0.00 0.00 52.55 55.62 1prt s ASP 100 Cb -0.22 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.80 1prt s ASP 100 CO 0.28 -0.22 -0.03 -1.00 -0.17 0.00 0.00 175.17 174.03 1prt s HIS 101 N -1.35 0.30 0.08 -5.34 3.76 -1.06 -5.02 115.29 106.65 1prt s HIS 101 Ca 0.49 -0.04 0.02 0.00 -0.15 0.00 0.00 55.06 55.37 1prt s HIS 101 Cb -0.27 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.14 1prt s HIS 101 CO 0.35 -0.03 -0.06 1.52 -0.85 0.00 0.00 174.74 175.66 1prt s TYR 102 N 0.17 0.78 0.02 1.40 -0.85 -1.26 -1.37 117.35 116.24 1prt s TYR 102 Ca -0.01 -0.81 0.05 0.00 -0.52 0.00 0.00 57.07 55.77 1prt s TYR 102 Cb -0.04 -0.47 -0.02 0.00 0.38 0.00 0.00 41.96 41.82 1prt s TYR 102 CO -0.00 -0.15 -0.14 0.71 -1.52 0.00 0.00 175.55 174.44 1prt s TYR 103 N -3.01 1.24 0.34 -3.49 1.51 -0.53 -4.98 117.35 108.42 1prt s TYR 103 Ca 0.05 -0.30 0.09 0.00 -1.01 0.00 0.00 57.07 55.91 1prt s TYR 103 Cb 0.01 -0.76 -0.06 0.00 -0.11 0.00 0.00 41.96 41.04 1prt s TYR 103 CO -0.04 0.01 -0.06 -1.12 -1.11 0.00 0.00 175.55 173.23 1prt s SER 104 N -0.76 3.92 -1.55 2.29 0.01 -1.26 -0.57 113.70 115.78 1prt s SER 104 Ca 0.03 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1prt s SER 104 Cb -0.07 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1prt s SER 104 CO 0.00 -0.19 0.00 -3.20 0.41 0.00 0.00 173.24 170.26 1prt n ASN 105 N -0.85 -5.18 -4.86 2.44 5.15 -0.48 -4.95 115.26 106.53 1prt n ASN 105 Ca -0.05 0.36 -0.31 0.00 -0.60 0.00 0.00 54.58 53.98 1prt n ASN 105 Cb 0.63 -4.21 -0.03 0.00 -0.53 0.00 0.00 39.78 35.64 1prt n ASN 105 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1prt s VAL 106 N -2.22 4.67 -0.09 3.44 -7.23 -0.90 -4.63 120.40 113.45 1prt s VAL 106 Ca 0.00 0.90 0.02 0.00 -1.81 0.00 0.00 61.98 61.08 1prt s VAL 106 Cb 0.00 -3.74 0.01 0.00 0.56 0.00 0.00 36.38 33.22 1prt s VAL 106 CO 0.00 -0.63 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.13 1prt s THR 107 N -2.53 1.28 -0.06 5.32 2.01 0.12 -0.63 115.64 121.14 1prt s THR 107 Ca 0.55 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 1prt s THR 107 Cb -0.10 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1prt s THR 107 CO 0.33 0.39 1.28 0.00 -0.69 0.00 0.00 174.62 175.93 1prt s ALA 108 N 0.87 3.56 0.33 7.40 0.00 -1.26 -0.59 121.76 132.07 1prt s ALA 108 Ca -0.10 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.57 1prt s ALA 108 Cb -0.15 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 1prt s ALA 108 CO 0.01 -0.91 0.16 0.25 0.00 0.00 0.00 175.76 175.28 1prt n THR 109 N 4.81 0.00 -2.77 0.00 -2.24 -0.20 -4.75 114.28 109.14 1prt n THR 109 Ca 0.12 -2.08 -0.12 0.00 -2.27 0.00 0.00 64.05 59.70 1prt n THR 109 Cb 0.45 0.84 0.01 0.00 -2.10 0.00 0.00 70.33 69.53 1prt n THR 109 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1prt n ARG 110 N -0.72 -0.71 -2.46 -0.78 1.74 -1.26 -0.70 116.66 111.76 1prt n ARG 110 Ca -0.01 0.80 -0.32 0.00 -0.77 0.00 0.00 57.85 57.55 1prt n ARG 110 Cb 0.53 -1.08 -0.03 0.00 -1.02 0.00 0.00 32.46 30.86 1prt n ARG 110 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1prt s LEU 111 N -1.24 3.64 -0.04 0.55 1.43 -1.26 -3.43 118.68 118.33 1prt s LEU 111 Ca 0.12 1.47 -0.05 0.00 -1.03 0.00 0.00 54.13 54.64 1prt s LEU 111 Cb -0.01 -4.40 0.01 0.00 0.03 0.00 0.00 46.19 41.82 1prt s LEU 111 CO 0.27 -0.56 0.14 -0.22 0.23 0.00 0.00 176.35 176.20 1prt s LEU 112 N -4.09 1.49 0.11 1.79 0.20 -0.63 -4.99 118.68 112.56 1prt s LEU 112 Ca 0.57 0.19 -0.18 0.00 0.69 0.00 0.00 54.13 55.40 1prt s LEU 112 Cb -0.10 0.51 0.04 0.00 -0.43 0.00 0.00 46.19 46.21 1prt s LEU 112 CO 0.33 -0.10 0.45 -0.94 -0.29 0.00 0.00 176.35 175.79 1prt s SER 113 N -0.19 -0.32 0.05 3.68 1.04 -1.26 -1.05 113.70 115.65 1prt s SER 113 Ca -0.03 -0.16 -0.27 0.00 0.48 0.00 0.00 55.95 55.98 1prt s SER 113 Cb -0.02 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.65 1prt s SER 113 CO 0.00 -0.82 0.63 -0.94 0.98 0.00 0.00 173.24 173.09 1prt s SER 114 N -2.57 -0.60 -0.14 7.02 1.04 -1.24 -5.06 113.70 112.15 1prt s SER 114 Ca 0.00 0.37 -0.40 0.00 0.48 0.00 0.00 55.95 56.40 1prt s SER 114 Cb 0.01 0.56 -0.17 0.00 0.10 0.00 0.00 66.02 66.51 1prt s SER 114 CO -0.09 -0.77 1.47 0.41 0.98 0.00 0.00 173.24 175.24 1prt n THR 115 N 0.33 0.11 -2.52 2.02 -1.04 -1.26 -1.34 114.28 110.57 1prt n THR 115 Ca -0.18 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.68 1prt n THR 115 Cb 0.61 -0.78 -0.00 0.00 -1.82 0.00 0.00 70.33 68.33 1prt n THR 115 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1prt n ASN 116 N 3.56 -3.95 0.00 8.00 3.02 -1.26 -4.46 115.26 120.17 1prt n ASN 116 Ca 0.23 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1prt n ASN 116 Cb 0.11 -3.35 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 1prt n ASN 116 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1prt n SER 117 N -1.86 0.00 -4.87 6.41 2.88 -0.45 -4.75 113.62 110.99 1prt n SER 117 Ca -0.14 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.19 1prt n SER 117 Cb 0.61 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.03 1prt n SER 117 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1prt s ARG 118 N 4.86 2.56 -0.15 -1.46 1.70 -1.26 -4.62 118.95 120.58 1prt s ARG 118 Ca 0.00 -1.50 -0.01 0.00 -0.47 0.00 0.00 55.73 53.74 1prt s ARG 118 Cb 0.00 -2.39 -0.02 0.00 -0.57 0.00 0.00 34.95 31.97 1prt s ARG 118 CO 0.00 -0.15 -0.10 -1.17 -1.08 0.00 0.00 175.30 172.80 1prt s LEU 119 N -4.11 2.87 0.16 -1.89 2.96 0.14 -3.70 118.68 115.12 1prt s LEU 119 Ca 0.47 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 1prt s LEU 119 Cb -0.04 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 1prt s LEU 119 CO 0.28 0.15 -0.08 0.00 -1.32 0.00 0.00 176.35 175.37 1prt s ALA 121 N -3.36 -0.52 -0.42 0.00 0.00 -0.21 -1.61 121.76 115.64 1prt s ALA 121 Ca 0.19 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.06 1prt s ALA 121 Cb 0.03 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1prt s ALA 121 CO 0.02 -0.23 0.35 0.08 0.00 0.00 0.00 175.76 175.98 1prt s VAL 122 N -1.34 5.22 -0.57 0.00 1.01 0.12 -1.14 120.40 123.70 1prt s VAL 122 Ca -0.14 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 1prt s VAL 122 Cb -0.07 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.36 1prt s VAL 122 CO 0.03 -0.38 1.14 -0.36 0.00 0.00 0.00 175.10 175.52 1prt s PHE 123 N 1.78 2.65 0.50 5.22 0.40 -0.64 -1.03 117.98 126.87 1prt s PHE 123 Ca 0.06 0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.73 1prt s PHE 123 Cb -0.19 -4.41 0.02 0.00 0.51 0.00 0.00 43.02 38.94 1prt s PHE 123 CO 0.10 -1.53 0.72 0.14 0.70 0.00 0.00 175.22 175.35 1prt s VAL 124 N 4.72 3.25 -0.26 -0.44 -7.23 0.25 -1.71 120.40 118.97 1prt s VAL 124 Ca 0.40 -0.62 -0.12 0.00 -1.81 0.00 0.00 61.98 59.83 1prt s VAL 124 Cb -0.09 -3.20 0.10 0.00 0.56 0.00 0.00 36.38 33.75 1prt s VAL 124 CO 0.24 -0.14 0.61 -0.60 -0.31 0.00 0.00 175.10 174.90 1prt s ARG 125 N -4.65 0.58 -1.74 4.82 3.52 0.16 0.11 118.95 121.76 1prt s ARG 125 Ca 0.53 1.24 0.00 0.00 -0.13 0.00 0.00 55.73 57.37 1prt s ARG 125 Cb -0.10 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.69 1prt s ARG 125 CO 0.38 -0.18 0.00 0.43 -0.81 0.00 0.00 175.30 175.12 1prt n SER 126 N 4.83 -5.26 0.00 -2.12 7.64 -1.26 -2.17 113.62 115.29 1prt n SER 126 Ca -0.16 0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1prt n SER 126 Cb 0.54 -4.34 0.00 0.00 -1.01 0.00 0.00 64.21 59.40 1prt n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1prt n GLY 127 N -0.89 2.63 3.78 0.23 0.00 -1.26 -5.01 105.19 104.67 1prt n GLY 127 Ca -0.20 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 1prt n GLY 127 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1prt s GLN 128 N 0.00 4.56 1.23 1.61 -1.52 -0.92 -4.96 119.66 119.66 1prt s GLN 128 Ca 0.00 1.30 -0.16 0.00 -1.95 0.00 0.00 55.36 54.54 1prt s GLN 128 Cb 0.00 -2.80 0.30 0.00 -0.22 0.00 0.00 33.01 30.29 1prt s GLN 128 CO 0.00 0.28 1.02 -2.14 -0.25 0.00 0.00 175.29 174.20 1prt s PRO 129 N -2.06 -1.40 0.00 2.91 0.02 -1.26 -0.67 135.00 132.54 1prt s PRO 129 Ca 0.50 0.48 0.00 0.00 0.02 0.00 0.00 61.00 61.99 1prt s PRO 129 Cb -0.18 -1.53 0.00 0.00 0.02 0.00 0.00 34.50 32.81 1prt s PRO 129 CO 0.23 -3.95 0.00 0.28 -0.33 0.00 0.00 177.00 173.24 1prt n VAL 130 N -5.02 0.00 -3.95 3.83 0.31 -0.69 -4.65 118.33 108.16 1prt n VAL 130 Ca 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.29 1prt n VAL 130 Cb 0.57 -0.28 -0.02 0.00 -0.91 0.00 0.00 33.84 33.20 1prt n VAL 130 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1prt s ILE 131 N -1.83 0.00 0.01 2.52 1.10 -1.19 -4.68 121.20 117.13 1prt s ILE 131 Ca 0.00 -1.29 0.01 0.00 -0.51 0.00 0.00 60.65 58.86 1prt s ILE 131 Cb 0.00 -2.55 -0.01 0.00 0.15 0.00 0.00 42.46 40.05 1prt s ILE 131 CO 0.00 0.00 -0.04 -0.83 -2.11 0.00 0.00 174.94 171.96 1prt s GLY 132 N -3.10 0.26 0.06 1.50 0.00 -0.84 -1.61 107.32 103.59 1prt s GLY 132 Ca 0.21 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.56 1prt s GLY 132 CO 0.13 -0.39 -0.05 0.00 0.00 0.00 0.00 173.10 172.79 1prt s ALA 133 N -0.67 0.59 0.05 3.20 0.00 -0.29 -1.70 121.76 122.94 1prt s ALA 133 Ca -0.05 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 1prt s ALA 133 Cb -0.05 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1prt s ALA 133 CO -0.00 -0.24 0.05 0.00 0.00 0.00 0.00 175.76 175.57 1prt s THR 135 N -3.06 0.33 -0.07 0.00 2.01 0.21 -2.10 115.64 112.96 1prt s THR 135 Ca -0.01 -0.37 -0.10 0.00 0.31 0.00 0.00 61.69 61.52 1prt s THR 135 Cb 0.02 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 72.23 1prt s THR 135 CO -0.07 -0.04 0.25 -0.55 -0.69 0.00 0.00 174.62 173.52 1prt s SER 136 N -0.45 -0.21 0.04 3.53 0.15 -1.26 0.27 113.70 115.77 1prt s SER 136 Ca -0.02 0.32 0.24 0.00 0.70 0.00 0.00 55.95 57.19 1prt s SER 136 Cb -0.04 0.44 0.22 0.00 -1.71 0.00 0.00 66.02 64.93 1prt s SER 136 CO -0.00 -0.20 1.19 -0.81 1.20 0.00 0.00 173.24 174.62 1prt n PRO 137 N 2.39 0.17 0.03 5.44 -0.04 -1.26 -4.30 135.00 137.42 1prt n PRO 137 Ca -0.16 0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.15 1prt n PRO 137 Cb 0.57 -1.57 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 1prt n PRO 137 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1prt h TYR 138 N 0.00 0.35 -2.61 0.54 0.05 -1.92 -3.47 116.97 109.91 1prt h TYR 138 Ca 0.00 -0.26 -0.09 0.00 0.05 0.00 0.00 58.73 58.44 1prt h TYR 138 Cb 0.64 -0.01 -0.19 0.00 1.01 0.00 0.00 36.73 38.18 1prt h TYR 138 CO 0.00 1.41 -0.05 0.16 -1.05 0.00 0.00 178.16 178.63 1prt s ASP 139 N -6.78 -0.41 0.00 3.88 1.47 -1.26 -5.10 116.67 108.47 1prt s ASP 139 Ca -0.12 0.33 0.00 0.00 1.18 0.00 0.00 52.55 53.94 1prt s ASP 139 Cb 0.07 0.43 0.00 0.00 -0.34 0.00 0.00 42.92 43.08 1prt s ASP 139 CO 0.82 -0.56 0.00 0.61 0.68 0.00 0.00 175.17 176.72 1prt n GLY 140 N 0.96 3.10 0.15 2.12 0.00 -1.26 -4.57 105.19 105.69 1prt n GLY 140 Ca -0.20 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.04 1prt n GLY 140 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1prt h LYS 141 N 0.00 0.00 -1.49 1.61 3.64 -2.00 -3.35 116.57 114.99 1prt h LYS 141 Ca 0.00 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.71 1prt h LYS 141 Cb 0.00 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 31.48 1prt h LYS 141 CO 0.00 0.39 0.28 0.66 -2.27 0.00 0.00 179.45 178.51 1prt n TYR 142 N -3.17 3.12 0.03 1.91 4.01 -1.26 -4.66 117.16 117.13 1prt n TYR 142 Ca 0.02 -2.67 -0.07 0.00 -0.16 0.00 0.00 57.90 55.02 1prt n TYR 142 Cb 0.70 -0.83 0.10 0.00 -0.31 0.00 0.00 39.34 39.00 1prt n TYR 142 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 1prt h TRP 143 N 2.57 0.56 -0.53 -0.72 5.08 -1.75 -2.96 115.95 118.20 1prt h TRP 143 Ca 0.48 -0.19 0.12 0.00 1.08 0.00 0.00 58.89 60.38 1prt h TRP 143 Cb 0.64 -0.11 -0.03 0.00 -3.00 0.00 0.00 29.16 26.66 1prt h TRP 143 CO 1.09 0.88 0.37 0.66 -1.28 0.00 0.00 178.44 180.15 1prt h SER 144 N 0.35 0.15 1.25 0.11 4.64 -1.87 -1.92 113.55 116.26 1prt h SER 144 Ca 0.01 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1prt h SER 144 Cb 1.03 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1prt h SER 144 CO 0.09 0.09 0.00 0.23 -0.87 0.00 0.00 176.83 176.37 1prt n MET 145 N -4.43 0.19 0.06 4.77 2.81 -1.12 -4.30 117.12 115.10 1prt n MET 145 Ca 0.09 0.20 -0.16 0.00 -1.81 0.00 0.00 57.70 56.03 1prt n MET 145 Cb 0.48 -1.75 -0.10 0.00 -0.71 0.00 0.00 33.22 31.15 1prt n MET 145 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 1prt h TYR 146 N 0.00 -1.58 -0.82 2.03 3.20 -1.45 0.88 116.97 119.23 1prt h TYR 146 Ca 0.00 0.05 0.19 0.00 3.14 0.00 0.00 58.73 62.11 1prt h TYR 146 Cb 0.63 0.69 -0.12 0.00 1.54 0.00 0.00 36.73 39.46 1prt h TYR 146 CO 0.00 -0.58 0.24 0.66 -1.64 0.00 0.00 178.16 176.84 1prt h SER 147 N -0.68 0.07 0.03 -2.11 4.64 -1.79 0.27 113.55 113.97 1prt h SER 147 Ca 0.01 0.16 -0.16 0.00 -0.47 0.00 0.00 61.79 61.34 1prt h SER 147 Cb 0.73 0.21 0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1prt h SER 147 CO -0.36 -0.06 -0.63 0.03 -0.87 0.00 0.00 176.83 174.94 1prt h ARG 148 N 0.28 0.37 -0.95 4.77 -0.00 -1.75 -3.31 114.38 113.80 1prt h ARG 148 Ca 0.49 -0.44 0.00 0.00 -0.50 0.00 0.00 59.98 59.53 1prt h ARG 148 Cb 0.90 0.14 -0.05 0.00 0.00 0.00 0.00 29.97 30.95 1prt h ARG 148 CO -0.56 1.12 0.61 -0.07 0.00 0.00 0.00 179.97 181.07 1prt h LEU 149 N -0.19 1.11 -2.01 3.04 3.38 0.31 -1.23 115.31 119.73 1prt h LEU 149 Ca -0.09 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1prt h LEU 149 Cb 1.37 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1prt h LEU 149 CO 0.12 0.82 0.00 0.08 0.09 0.00 0.00 178.44 179.56 1prt h ARG 150 N 1.29 0.00 0.18 1.13 -0.00 -0.63 0.82 114.38 117.18 1prt h ARG 150 Ca 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.32 1prt h ARG 150 Cb -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.86 1prt h ARG 150 CO -0.07 0.00 -0.09 0.87 -0.00 0.00 0.00 179.97 180.68 1prt h LYS 151 N 0.00 -0.23 -0.11 0.08 1.57 -1.32 -1.00 116.57 115.56 1prt h LYS 151 Ca 0.00 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1prt h LYS 151 Cb 0.01 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1prt h LYS 151 CO -0.00 0.17 -0.11 0.52 -0.57 0.00 0.00 179.45 179.46 1prt h MET 152 N -0.72 0.17 -0.24 3.15 2.86 -1.12 -2.34 114.93 116.69 1prt h MET 152 Ca -0.02 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1prt h MET 152 Cb 0.50 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1prt h MET 152 CO 0.04 0.29 -0.22 1.25 1.06 0.00 0.00 176.91 179.33 1prt h LEU 153 N 0.16 0.60 0.05 1.22 5.85 -0.72 -2.37 115.31 120.10 1prt h LEU 153 Ca 0.04 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 1prt h LEU 153 Cb 0.30 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1prt h LEU 153 CO 0.02 0.95 -0.02 0.22 -0.34 0.00 0.00 178.44 179.26 1prt h TYR 154 N 0.27 -0.06 -0.04 1.25 5.03 -0.87 -1.06 116.97 121.50 1prt h TYR 154 Ca 0.04 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.38 1prt h TYR 154 Cb 0.77 0.02 -0.06 0.00 1.55 0.00 0.00 36.73 39.01 1prt h TYR 154 CO 0.08 -0.03 -0.46 1.25 -1.32 0.00 0.00 178.16 177.67 1prt h LEU 155 N -0.07 -1.41 -1.07 2.82 5.85 -1.34 -1.75 115.31 118.33 1prt h LEU 155 Ca -0.01 0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1prt h LEU 155 Cb 0.06 0.55 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1prt h LEU 155 CO 0.01 -0.47 -0.32 0.16 -0.34 0.00 0.00 178.44 177.48 1prt h ILE 156 N -0.58 0.80 0.10 4.05 3.07 -1.41 -2.26 117.51 121.28 1prt h ILE 156 Ca 0.04 -1.33 -0.00 0.00 1.55 0.00 0.00 64.86 65.12 1prt h ILE 156 Cb 0.67 1.83 0.00 0.00 -0.27 0.00 0.00 36.82 39.05 1prt h ILE 156 CO -0.35 0.31 -0.05 0.22 -1.05 0.00 0.00 178.15 177.23 1prt h TYR 157 N 0.00 -0.13 0.00 0.16 3.20 -0.34 -2.17 116.97 117.69 1prt h TYR 157 Ca -0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1prt h TYR 157 Cb 0.80 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1prt h TYR 157 CO 0.00 0.26 -0.27 -0.39 -1.64 0.00 0.00 178.16 176.11 1prt h VAL 158 N -0.54 0.60 -0.00 1.81 -1.51 -1.31 -3.23 116.25 112.07 1prt h VAL 158 Ca -0.01 -1.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1prt h VAL 158 Cb 0.44 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1prt h VAL 158 CO 0.02 0.27 -0.82 0.00 -1.23 0.00 0.00 177.57 175.82 1prt n ALA 159 N -2.22 4.32 -2.43 5.19 0.00 -0.86 -4.98 120.51 119.54 1prt n ALA 159 Ca 0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 1prt n ALA 159 Cb 0.50 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 19.06 1prt n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1prt n GLY 160 N 1.50 -0.10 3.69 0.00 0.00 -0.84 -4.98 105.19 104.46 1prt n GLY 160 Ca 0.05 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1prt n GLY 160 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1prt s ILE 161 N -2.74 4.41 0.57 -0.61 1.01 -1.06 -5.03 121.20 117.75 1prt s ILE 161 Ca 0.07 1.72 -0.18 0.00 0.00 0.00 0.00 60.65 62.26 1prt s ILE 161 Cb -0.03 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1prt s ILE 161 CO 0.09 0.02 1.10 -0.44 0.00 0.00 0.00 174.94 175.71 1prt s SER 162 N 1.32 5.66 0.37 3.58 0.01 -1.26 -4.60 113.70 118.77 1prt s SER 162 Ca 0.54 2.05 -0.08 0.00 1.31 0.00 0.00 55.95 59.77 1prt s SER 162 Cb -0.23 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.46 1prt s SER 162 CO 0.22 -1.25 0.61 0.54 0.41 0.00 0.00 173.24 173.76 1prt s VAL 163 N -2.04 0.00 -0.26 3.43 0.11 0.19 -4.63 120.40 117.21 1prt s VAL 163 Ca 0.69 -1.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 1prt s VAL 163 Cb -0.21 -2.76 0.05 0.00 -1.53 0.00 0.00 36.38 31.93 1prt s VAL 163 CO 0.31 0.00 -0.09 -0.60 -3.33 0.00 0.00 175.10 171.39 1prt s ARG 164 N -2.70 2.43 0.14 1.54 3.52 -0.87 -1.38 118.95 121.63 1prt s ARG 164 Ca 0.24 -1.24 -0.09 0.00 -0.13 0.00 0.00 55.73 54.52 1prt s ARG 164 Cb -0.02 -2.94 -0.06 0.00 -1.56 0.00 0.00 34.95 30.36 1prt s ARG 164 CO 0.17 -0.53 0.45 0.54 -0.81 0.00 0.00 175.30 175.12 1prt s VAL 165 N 1.18 5.04 -0.13 7.11 0.11 0.26 -2.19 120.40 131.79 1prt s VAL 165 Ca -0.06 0.40 0.01 0.00 -2.93 0.00 0.00 61.98 59.40 1prt s VAL 165 Cb -0.19 -3.64 0.02 0.00 -1.53 0.00 0.00 36.38 31.04 1prt s VAL 165 CO -0.05 0.13 -0.14 -1.00 -3.33 0.00 0.00 175.10 170.71 1prt s HIS 166 N -1.58 1.97 0.22 1.54 3.76 0.26 -1.46 115.29 120.01 1prt s HIS 166 Ca 0.39 -1.02 0.10 0.00 -0.15 0.00 0.00 55.06 54.39 1prt s HIS 166 Cb -0.13 -1.46 -0.05 0.00 1.11 0.00 0.00 32.58 32.05 1prt s HIS 166 CO 0.21 -0.56 -0.19 0.14 -0.85 0.00 0.00 174.74 173.48 1prt s VAL 167 N 1.30 2.16 -0.06 -0.90 -7.23 -0.47 0.35 120.40 115.53 1prt s VAL 167 Ca -0.00 -2.19 0.05 0.00 -1.81 0.00 0.00 61.98 58.03 1prt s VAL 167 Cb -0.14 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 1prt s VAL 167 CO -0.06 -0.37 -0.22 -0.55 -0.31 0.00 0.00 175.10 173.58 1prt s SER 168 N -3.13 3.29 0.00 4.85 0.15 0.08 -2.58 113.70 116.36 1prt s SER 168 Ca 0.24 -0.45 0.29 0.00 0.70 0.00 0.00 55.95 56.73 1prt s SER 168 Cb -0.05 -0.91 1.29 0.00 -1.71 0.00 0.00 66.02 64.65 1prt s SER 168 CO 0.10 0.25 1.88 0.29 1.20 0.00 0.00 173.24 176.97 1prt n LYS 169 N 2.91 1.33 0.22 5.44 5.02 -1.26 -3.04 118.16 128.78 1prt n LYS 169 Ca -0.17 -0.60 0.10 0.00 -2.02 0.00 0.00 58.31 55.62 1prt n LYS 169 Cb 0.52 -1.49 0.55 0.00 -0.02 0.00 0.00 35.03 34.59 1prt n LYS 169 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1prt h GLU 170 N 1.45 0.00 -3.80 1.97 5.08 -1.81 -3.40 114.58 114.07 1prt h GLU 170 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1prt h GLU 170 Cb 0.35 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.33 1prt h GLU 170 CO 0.00 0.00 -0.72 -1.21 -1.00 0.00 0.00 179.01 176.08 1prt s GLU 171 N -3.62 0.08 0.07 2.33 2.02 -1.26 -2.76 118.70 115.56 1prt s GLU 171 Ca -0.02 -0.15 0.08 0.00 0.02 0.00 0.00 54.97 54.90 1prt s GLU 171 Cb 0.06 0.02 -0.03 0.00 0.10 0.00 0.00 34.13 34.27 1prt s GLU 171 CO 0.18 -0.01 -0.22 -0.65 0.02 0.00 0.00 175.26 174.59 1prt s GLN 172 N -0.35 1.34 0.07 1.61 -1.52 -0.37 -3.57 119.66 116.87 1prt s GLN 172 Ca -0.04 -1.06 0.04 0.00 -1.95 0.00 0.00 55.36 52.35 1prt s GLN 172 Cb -0.02 -1.54 -0.03 0.00 -0.22 0.00 0.00 33.01 31.19 1prt s GLN 172 CO -0.00 0.38 -0.12 0.71 -0.25 0.00 0.00 175.29 176.01 1prt s TYR 173 N -0.94 1.04 -0.17 0.91 2.02 0.03 -0.62 117.35 119.61 1prt s TYR 173 Ca 0.08 -0.51 0.15 0.00 -0.37 0.00 0.00 57.07 56.42 1prt s TYR 173 Cb -0.09 -0.59 0.44 0.00 -0.40 0.00 0.00 41.96 41.32 1prt s TYR 173 CO 0.03 0.01 1.19 0.66 -1.57 0.00 0.00 175.55 175.87 1prt n TYR 174 N 1.18 0.58 -0.14 2.71 4.01 -0.21 -4.32 117.16 120.97 1prt n TYR 174 Ca -0.21 -1.42 -0.06 0.00 -0.16 0.00 0.00 57.90 56.05 1prt n TYR 174 Cb 0.55 -0.24 0.11 0.00 -0.31 0.00 0.00 39.34 39.45 1prt n TYR 174 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1prt h ASP 175 N 1.34 0.85 -3.85 7.72 5.19 -1.95 -3.42 116.42 122.31 1prt h ASP 175 Ca -0.01 -0.23 -0.49 0.00 -0.62 0.00 0.00 57.03 55.68 1prt h ASP 175 Cb 1.35 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1prt h ASP 175 CO 0.17 0.93 0.41 -0.31 -3.12 0.00 0.00 179.24 177.32 1prt s TYR 176 N -4.95 3.60 -0.02 4.55 1.51 -1.26 -5.00 117.35 115.77 1prt s TYR 176 Ca -0.10 1.74 -0.22 0.00 -1.01 0.00 0.00 57.07 57.48 1prt s TYR 176 Cb 0.14 -3.12 -0.05 0.00 -0.11 0.00 0.00 41.96 38.82 1prt s TYR 176 CO 0.83 -0.24 0.65 -1.21 -1.11 0.00 0.00 175.55 174.47 1prt s GLU 177 N -1.78 4.39 -1.40 -0.62 8.01 -1.26 -4.28 118.70 121.75 1prt s GLU 177 Ca 0.48 0.82 -0.08 0.00 0.01 0.00 0.00 54.97 56.21 1prt s GLU 177 Cb -0.26 -3.38 0.04 0.00 -4.31 0.00 0.00 34.13 26.22 1prt s GLU 177 CO 0.33 0.26 0.96 -0.25 0.01 0.00 0.00 175.26 176.56 1prt n ASP 178 N 3.08 -3.91 -4.74 -0.19 8.00 -1.26 -4.90 116.55 112.63 1prt n ASP 178 Ca -0.04 -0.72 -0.42 0.00 0.71 0.00 0.00 54.79 54.32 1prt n ASP 178 Cb 0.51 -4.30 -0.02 0.00 -0.02 0.00 0.00 41.12 37.29 1prt n ASP 178 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1prt s ALA 179 N -3.41 3.76 -2.09 2.24 0.00 -1.26 -4.79 121.76 116.20 1prt s ALA 179 Ca 0.41 1.51 0.23 0.00 0.00 0.00 0.00 51.96 54.10 1prt s ALA 179 Cb -0.20 -3.63 0.62 0.00 0.00 0.00 0.00 23.12 19.90 1prt s ALA 179 CO 0.79 -0.91 1.52 0.25 0.00 0.00 0.00 175.76 177.42 1prt n THR 180 N 2.66 0.90 -3.94 0.00 -2.24 -1.26 -0.80 114.28 109.60 1prt n THR 180 Ca 0.10 -0.95 -0.09 0.00 -2.27 0.00 0.00 64.05 60.83 1prt n THR 180 Cb 0.38 0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 69.09 1prt n THR 180 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1prt s PHE 181 N -1.10 0.21 0.80 4.78 -0.12 -1.26 -4.94 117.98 116.35 1prt s PHE 181 Ca 0.48 -0.49 -0.12 0.00 -0.05 0.00 0.00 56.93 56.75 1prt s PHE 181 Cb 0.25 -0.16 0.07 0.00 -0.63 0.00 0.00 43.02 42.56 1prt s PHE 181 CO 0.33 -0.31 1.12 -1.21 -0.05 0.00 0.00 175.22 175.11 1prt s GLU 182 N -2.21 2.07 -0.25 1.99 8.01 -1.26 -4.87 118.70 122.18 1prt s GLU 182 Ca -0.09 0.41 -0.04 0.00 0.01 0.00 0.00 54.97 55.26 1prt s GLU 182 Cb -0.04 -1.94 0.09 0.00 -4.31 0.00 0.00 34.13 27.93 1prt s GLU 182 CO -0.03 -1.58 0.12 0.99 0.01 0.00 0.00 175.26 174.77 1prt s THR 183 N -3.32 -0.09 0.50 3.63 2.01 -1.26 -1.98 115.64 115.14 1prt s THR 183 Ca 0.61 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 62.10 1prt s THR 183 Cb -0.13 -0.85 0.05 0.00 0.01 0.00 0.00 72.50 71.59 1prt s THR 183 CO 0.52 -0.58 0.44 -1.22 -0.69 0.00 0.00 174.62 173.09 1prt n TYR 184 N 5.26 -1.00 -2.16 4.92 4.01 -0.69 -0.79 117.16 126.72 1prt n TYR 184 Ca -0.06 -2.07 -0.42 0.00 -0.16 0.00 0.00 57.90 55.19 1prt n TYR 184 Cb 0.44 -0.42 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 1prt n TYR 184 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1prt s ALA 185 N -2.70 3.60 0.36 -0.72 0.00 -1.17 -2.42 121.76 118.72 1prt s ALA 185 Ca 0.33 1.00 -0.26 0.00 0.00 0.00 0.00 51.96 53.03 1prt s ALA 185 Cb -0.03 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 1prt s ALA 185 CO 0.21 -0.88 1.06 -1.17 0.00 0.00 0.00 175.76 174.98 1prt s LEU 186 N 2.13 4.28 0.00 0.00 0.20 -0.89 -0.74 118.68 123.66 1prt s LEU 186 Ca 0.66 2.09 0.00 0.00 0.69 0.00 0.00 54.13 57.57 1prt s LEU 186 Cb -0.34 -4.01 0.00 0.00 -0.43 0.00 0.00 46.19 41.41 1prt s LEU 186 CO 0.28 -0.36 0.00 1.07 -0.29 0.00 0.00 176.35 177.05 1prt n THR 187 N 0.35 0.00 -3.65 3.68 5.66 0.15 -4.85 114.28 115.63 1prt n THR 187 Ca 0.03 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.02 1prt n THR 187 Cb 0.48 1.14 -0.04 0.00 -1.55 0.00 0.00 70.33 70.36 1prt n THR 187 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1prt s GLY 188 N 0.00 0.10 -0.01 1.09 0.00 -0.58 -4.94 107.32 102.99 1prt s GLY 188 Ca 0.00 2.86 0.00 0.00 0.00 0.00 0.00 44.72 47.58 1prt s GLY 188 CO 0.00 1.09 -0.00 -0.42 0.00 0.00 0.00 173.10 173.77 1prt s ILE 189 N -1.05 0.08 -0.14 0.90 1.01 -1.26 -0.57 121.20 120.17 1prt s ILE 189 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 1prt s ILE 189 Cb -0.01 -0.11 0.05 0.00 0.01 0.00 0.00 42.46 42.39 1prt s ILE 189 CO -0.08 0.05 0.02 -0.44 0.00 0.00 0.00 174.94 174.49 1prt s SER 190 N 0.31 2.27 -0.73 3.58 0.01 -0.93 -4.97 113.70 113.24 1prt s SER 190 Ca -0.03 -0.47 -0.27 0.00 1.31 0.00 0.00 55.95 56.49 1prt s SER 190 Cb -0.05 -0.50 0.02 0.00 0.21 0.00 0.00 66.02 65.71 1prt s SER 190 CO -0.01 -0.26 1.37 -0.63 0.41 0.00 0.00 173.24 174.13 1prt s ILE 191 N 1.93 3.67 0.09 1.44 -1.09 -1.26 -2.05 121.20 123.93 1prt s ILE 191 Ca 0.02 0.35 0.06 0.00 -2.23 0.00 0.00 60.65 58.85 1prt s ILE 191 Cb -0.15 -4.77 -0.04 0.00 -1.58 0.00 0.00 42.46 35.92 1prt s ILE 191 CO -0.07 -1.71 -0.05 0.00 -1.23 0.00 0.00 174.94 171.88 1prt s ASN 193 N -2.24 6.24 -0.23 0.00 0.01 -1.26 -4.97 114.94 112.50 1prt s ASN 193 Ca 0.23 0.28 -0.21 0.00 -0.71 0.00 0.00 52.86 52.45 1prt s ASN 193 Cb -0.11 -2.19 -0.09 0.00 0.41 0.00 0.00 41.25 39.27 1prt s ASN 193 CO 0.16 -0.10 0.80 -2.65 -1.51 0.00 0.00 177.10 173.79 1prt n PRO 194 N 4.93 0.00 -3.70 -0.60 -0.02 -1.26 0.03 135.00 134.38 1prt n PRO 194 Ca -0.10 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.14 1prt n PRO 194 Cb 0.51 -0.68 0.05 0.00 -0.02 0.00 0.00 33.50 33.36 1prt n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1prt n GLY 195 N 2.26 -0.40 3.94 -1.23 0.00 -1.26 -4.97 105.19 103.53 1prt n GLY 195 Ca 0.17 0.16 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 1prt n GLY 195 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1prt s SER 196 N -3.89 6.29 0.53 1.61 0.15 0.10 -4.99 113.70 113.50 1prt s SER 196 Ca 0.29 0.15 0.23 0.00 0.70 0.00 0.00 55.95 57.32 1prt s SER 196 Cb -0.14 -1.88 1.48 0.00 -1.71 0.00 0.00 66.02 63.77 1prt s SER 196 CO 0.79 0.05 2.15 -1.28 1.20 0.00 0.00 173.24 176.15 1prt h SER 197 N 2.16 0.00 1.36 5.45 0.87 -1.93 -2.40 113.55 119.06 1prt h SER 197 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1prt h SER 197 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1prt h SER 197 CO 0.68 0.06 0.00 0.18 -0.53 0.00 0.00 176.83 177.22 1prt n LEU 198 N -4.05 0.72 0.00 2.23 4.77 -1.26 -5.19 117.00 114.22 1prt n LEU 198 Ca -0.03 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1prt n LEU 198 Cb 0.14 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1prt n LEU 198 CO 0.31 -0.20 0.20 0.00 -1.33 0.00 0.00 177.39 176.37