#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 1.64 -0.02 -0.61 1.01 -1.26 -4.62 121.20 117.34 1prt s ILE 5 Ca 0.00 -2.10 -0.22 0.00 0.00 0.00 0.00 60.65 58.33 1prt s ILE 5 Cb 0.00 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1prt s ILE 5 CO 0.00 -0.23 0.65 -0.69 0.00 0.00 0.00 174.94 174.68 1prt s VAL 6 N -3.01 4.94 -0.19 2.92 1.01 -0.30 -5.00 120.40 120.77 1prt s VAL 6 Ca 0.31 1.36 -0.05 0.00 0.00 0.00 0.00 61.98 63.60 1prt s VAL 6 Cb 0.05 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1prt s VAL 6 CO 0.13 0.35 0.01 -0.63 0.00 0.00 0.00 175.10 174.96 1prt s ILE 7 N 0.22 4.11 0.27 2.22 1.09 -1.26 -4.70 121.20 123.15 1prt s ILE 7 Ca 0.34 -0.26 -0.30 0.00 -1.10 0.00 0.00 60.65 59.32 1prt s ILE 7 Cb -0.18 -2.85 -0.11 0.00 -1.06 0.00 0.00 42.46 38.25 1prt s ILE 7 CO 0.18 0.44 1.62 -2.84 -0.10 0.00 0.00 174.94 174.24 1prt s PRO 8 N 0.81 4.13 0.79 2.79 0.02 -1.26 -4.94 135.00 137.33 1prt s PRO 8 Ca 0.01 2.57 -0.13 0.00 0.02 0.00 0.00 61.00 63.46 1prt s PRO 8 Cb -0.14 -3.04 0.07 0.00 0.02 0.00 0.00 34.50 31.41 1prt s PRO 8 CO 0.02 -0.65 1.18 -2.14 -0.33 0.00 0.00 177.00 175.08 1prt s PRO 9 N -0.04 1.83 0.53 5.54 0.02 -1.26 -4.88 135.00 136.74 1prt s PRO 9 Ca 0.66 1.64 0.26 0.00 0.02 0.00 0.00 61.00 63.58 1prt s PRO 9 Cb -0.48 -1.81 1.39 0.00 0.02 0.00 0.00 34.50 33.62 1prt s PRO 9 CO 0.43 -2.04 1.98 0.37 -0.33 0.00 0.00 177.00 177.41 1prt h GLN 10 N -0.82 0.02 0.00 5.54 4.15 -1.95 -1.51 115.11 120.54 1prt h GLN 10 Ca -0.46 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1prt h GLN 10 Cb 1.28 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1prt h GLN 10 CO 0.48 0.01 0.00 -0.85 -1.93 0.00 0.00 178.83 176.54 1prt n GLU 11 N -4.37 0.16 -0.15 1.69 0.00 -1.26 -3.75 120.64 112.96 1prt n GLU 11 Ca 0.11 0.20 0.00 0.00 0.00 0.00 0.00 57.16 57.47 1prt n GLU 11 Cb 0.65 -1.71 0.00 0.00 0.00 0.00 0.00 31.44 30.38 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 -2.00 0.94 -5.02 3.44 1.13 -0.57 -4.79 117.38 110.52 1prt n GLN 12 Ca 0.05 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.84 1prt n GLN 12 Cb 0.35 -1.03 -0.16 0.00 0.11 0.00 0.00 30.24 29.52 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 0.08 1.65 0.33 5.09 2.07 -1.25 0.12 121.20 129.29 1prt s ILE 13 Ca 0.00 -0.88 -0.29 0.00 -1.41 0.00 0.00 60.65 58.07 1prt s ILE 13 Cb 0.00 -1.38 -0.10 0.00 0.13 0.00 0.00 42.46 41.11 1prt s ILE 13 CO 0.00 0.47 1.31 0.42 -1.91 0.00 0.00 174.94 175.22 1prt s THR 14 N -0.41 2.73 0.08 4.00 -4.23 -0.28 -4.87 115.64 112.66 1prt s THR 14 Ca 0.06 0.73 -0.31 0.00 -1.18 0.00 0.00 61.69 60.99 1prt s THR 14 Cb -0.09 -3.47 -0.18 0.00 1.34 0.00 0.00 72.50 70.11 1prt s THR 14 CO -0.00 0.17 1.65 0.06 -0.54 0.00 0.00 174.62 175.96 1prt h GLN 15 N 3.43 -0.69 -5.98 3.99 3.07 -1.98 -3.42 115.11 113.53 1prt h GLN 15 Ca -0.49 0.05 -0.68 0.00 0.09 0.00 0.00 58.65 57.62 1prt h GLN 15 Cb 1.23 0.16 -0.18 0.00 0.08 0.00 0.00 27.48 28.76 1prt h GLN 15 CO 0.66 -0.46 -0.67 -1.01 0.09 0.00 0.00 178.83 177.43 1prt s HIS 16 N -6.08 3.00 1.23 0.06 3.76 -1.26 -5.12 115.29 110.88 1prt s HIS 16 Ca -0.17 0.01 -0.19 0.00 -0.15 0.00 0.00 55.06 54.56 1prt s HIS 16 Cb 0.04 -1.76 0.30 0.00 1.11 0.00 0.00 32.58 32.26 1prt s HIS 16 CO 0.63 0.31 1.08 0.20 -0.85 0.00 0.00 174.74 176.11 1prt s GLY 17 N -0.66 1.56 0.01 -2.22 0.00 -1.26 -4.89 107.32 99.85 1prt s GLY 17 Ca 0.10 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 44.00 1prt s GLY 17 CO 0.02 -0.01 -0.24 -0.56 0.00 0.00 0.00 173.10 172.31 1prt s SER 18 N -3.75 2.88 0.78 1.64 0.01 0.37 -4.83 113.70 110.80 1prt s SER 18 Ca 0.70 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 57.36 1prt s SER 18 Cb -0.11 -0.29 0.06 0.00 0.21 0.00 0.00 66.02 65.89 1prt s SER 18 CO 0.56 0.27 1.10 -2.16 0.41 0.00 0.00 173.24 173.42 1prt s PRO 19 N -0.83 2.22 -0.45 12.44 0.04 -1.26 0.42 135.00 147.58 1prt s PRO 19 Ca 0.10 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1prt s PRO 19 Cb -0.09 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1prt s PRO 19 CO 0.00 -1.52 0.00 0.66 0.04 0.00 0.00 177.00 176.19 1prt n TYR 20 N -3.36 -1.66 -1.30 0.56 4.02 -1.26 -0.32 117.16 113.85 1prt n TYR 20 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.86 1prt n TYR 20 Cb 0.56 -1.72 -0.04 0.00 -0.02 0.00 0.00 39.34 38.12 1prt n TYR 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1prt n GLY 21 N -0.58 1.09 3.34 2.72 0.00 -1.25 -4.91 105.19 105.61 1prt n GLY 21 Ca -0.06 -0.20 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 1prt n GLY 21 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1prt s ARG 22 N -2.69 4.04 0.19 1.61 3.00 0.56 -5.02 118.95 120.65 1prt s ARG 22 Ca 0.00 -2.98 -0.30 0.00 -1.00 0.00 0.00 55.73 51.45 1prt s ARG 22 Cb 0.00 -4.55 -0.08 0.00 0.00 0.00 0.00 34.95 30.31 1prt s ARG 22 CO 0.00 -1.29 1.21 0.00 0.00 0.00 0.00 175.30 175.23 1prt n ALA 24 N 2.45 -4.52 -1.77 0.00 0.00 -1.26 -4.82 120.51 110.59 1prt n ALA 24 Ca 0.04 -1.20 -0.36 0.00 0.00 0.00 0.00 53.44 51.92 1prt n ALA 24 Cb 0.44 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.57 1prt n ALA 24 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1prt s ASN 25 N -1.58 5.66 0.00 0.00 0.01 -1.26 -1.95 114.94 115.82 1prt s ASN 25 Ca 0.50 2.30 0.00 0.00 -0.71 0.00 0.00 52.86 54.95 1prt s ASN 25 Cb -0.07 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.99 1prt s ASN 25 CO 0.67 -1.27 0.00 0.29 -1.51 0.00 0.00 177.10 175.28 1prt n LYS 26 N -1.17 -0.05 -4.14 -0.60 5.02 -1.26 -4.97 118.16 110.99 1prt n LYS 26 Ca 0.11 0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1prt n LYS 26 Cb 0.50 -3.23 -0.11 0.00 -0.02 0.00 0.00 35.03 32.17 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 -2.87 0.78 0.04 -0.18 -4.23 -0.82 -2.38 115.64 105.97 1prt s THR 27 Ca 0.00 -1.52 -0.06 0.00 -1.18 0.00 0.00 61.69 58.93 1prt s THR 27 Cb 0.00 -1.20 -0.01 0.00 1.34 0.00 0.00 72.50 72.64 1prt s THR 27 CO 0.00 -0.55 0.10 -0.60 -0.54 0.00 0.00 174.62 173.03 1prt s ARG 28 N -2.60 0.58 0.57 3.99 3.00 0.10 -4.37 118.95 120.22 1prt s ARG 28 Ca 0.02 -0.72 -0.21 0.00 -1.00 0.00 0.00 55.73 53.82 1prt s ARG 28 Cb -0.04 0.23 -0.04 0.00 0.00 0.00 0.00 34.95 35.10 1prt s ARG 28 CO -0.01 -0.15 1.34 0.00 0.00 0.00 0.00 175.30 176.48 1prt n ALA 29 N 0.82 1.46 -1.96 6.12 0.00 -1.26 0.31 120.51 126.01 1prt n ALA 29 Ca -0.19 0.10 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 1prt n ALA 29 Cb 0.58 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 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 -3.62 4.45 0.57 0.00 2.96 0.24 -4.65 118.68 118.62 1prt s LEU 30 Ca 0.74 1.63 -0.01 0.00 -0.22 0.00 0.00 54.13 56.28 1prt s LEU 30 Cb -0.41 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 42.72 1prt s LEU 30 CO 0.47 0.07 0.81 0.42 -1.32 0.00 0.00 176.35 176.80 1prt s THR 31 N -1.40 2.81 0.01 3.68 -4.23 -1.26 -0.53 115.64 114.72 1prt s THR 31 Ca 0.42 -0.55 -0.18 0.00 -1.18 0.00 0.00 61.69 60.20 1prt s THR 31 Cb -0.20 -3.08 -0.10 0.00 1.34 0.00 0.00 72.50 70.46 1prt s THR 31 CO 0.24 -0.06 0.97 0.58 -0.54 0.00 0.00 174.62 175.81 1prt h VAL 32 N -0.01 0.00 -0.69 2.29 2.07 -1.95 -1.62 116.25 116.34 1prt h VAL 32 Ca -0.43 -0.21 0.20 0.00 0.82 0.00 0.00 66.70 67.08 1prt h VAL 32 Cb 1.29 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1prt h VAL 32 CO 0.55 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.72 1prt h ALA 33 N -1.49 2.54 0.01 1.67 0.00 -1.96 0.27 119.26 120.29 1prt h ALA 33 Ca -0.07 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 1prt h ALA 33 Cb 0.50 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.36 1prt h ALA 33 CO 0.11 -0.94 -0.84 0.93 0.00 0.00 0.00 179.25 178.51 1prt h GLU 34 N 0.00 0.55 -0.01 0.00 5.08 -1.87 -3.16 114.58 115.18 1prt h GLU 34 Ca 0.33 -0.61 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1prt h GLU 34 Cb 1.50 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1prt h GLU 34 CO -0.00 1.22 -0.05 1.25 -1.00 0.00 0.00 179.01 180.43 1prt h LEU 35 N 0.13 0.06 -0.73 1.33 5.85 0.11 -3.09 115.31 118.96 1prt h LEU 35 Ca -0.11 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 57.95 1prt h LEU 35 Cb 1.53 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.54 1prt h LEU 35 CO 0.16 0.72 0.30 -1.14 -0.34 0.00 0.00 178.44 178.14 1prt n ARG 36 N -4.71 0.08 -0.10 1.25 0.63 0.71 0.20 116.66 114.72 1prt n ARG 36 Ca -0.09 0.53 0.09 0.00 -0.92 0.00 0.00 57.85 57.46 1prt n ARG 36 Cb 0.36 -2.04 0.14 0.00 0.45 0.00 0.00 32.46 31.36 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 -1.28 4.55 2.91 5.14 0.00 -1.17 -4.92 105.19 110.42 1prt n GLY 37 Ca -0.01 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.53 3.91 0.16 1.61 0.15 0.13 -4.97 113.70 112.16 1prt s SER 38 Ca 0.29 -1.32 -0.15 0.00 0.70 0.00 0.00 55.95 55.47 1prt s SER 38 Cb 0.25 -1.14 0.04 0.00 -1.71 0.00 0.00 66.02 63.46 1prt s SER 38 CO 0.03 -0.28 1.79 1.23 1.20 0.00 0.00 173.24 177.21 1prt h GLY 39 N 7.95 0.70 0.86 9.45 0.00 -1.91 -1.42 103.07 118.71 1prt h GLY 39 Ca -0.16 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 46.93 1prt h GLY 39 CO 0.43 0.29 0.62 -0.55 0.00 0.00 0.00 176.54 177.33 1prt h ASP 40 N 0.64 1.01 -0.18 0.19 5.19 -1.95 0.16 116.42 121.48 1prt h ASP 40 Ca 0.17 -0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.42 1prt h ASP 40 Cb 0.00 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.30 1prt h ASP 40 CO -0.03 0.67 -0.51 0.25 -3.12 0.00 0.00 179.24 176.50 1prt h LEU 41 N 1.16 0.76 -0.27 1.55 5.85 -1.78 0.70 115.31 123.28 1prt h LEU 41 Ca 0.40 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 1prt h LEU 41 Cb 0.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1prt h LEU 41 CO -0.14 1.21 -0.09 1.56 -0.34 0.00 0.00 178.44 180.64 1prt h GLN 42 N 0.35 0.54 0.16 1.25 4.20 -0.92 -0.18 115.11 120.51 1prt h GLN 42 Ca -0.01 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1prt h GLN 42 Cb 1.12 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 1prt h GLN 42 CO 0.11 0.77 -0.11 1.49 -0.67 0.00 0.00 178.83 180.42 1prt h GLU 43 N 0.28 -0.25 -0.31 1.46 4.57 -0.73 -0.27 114.58 119.33 1prt h GLU 43 Ca 0.06 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.33 1prt h GLU 43 Cb 0.58 0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 29.15 1prt h GLU 43 CO 0.03 -0.17 -0.39 -0.92 -1.18 0.00 0.00 179.01 176.38 1prt h TYR 44 N -0.26 -1.11 0.08 0.92 3.20 -0.61 -0.34 116.97 118.85 1prt h TYR 44 Ca -0.01 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1prt h TYR 44 Cb 0.23 0.53 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1prt h TYR 44 CO -0.09 -0.43 -0.08 -0.07 -1.64 0.00 0.00 178.16 175.85 1prt h LEU 45 N -0.35 -0.21 -0.89 2.82 3.38 -0.85 -2.52 115.31 116.69 1prt h LEU 45 Ca 0.13 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.29 1prt h LEU 45 Cb 0.58 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.30 1prt h LEU 45 CO -0.50 -0.13 0.47 0.03 0.09 0.00 0.00 178.44 178.40 1prt h ARG 46 N -0.18 0.60 -0.73 1.13 3.08 -0.38 0.38 114.38 118.28 1prt h ARG 46 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1prt h ARG 46 Cb 0.18 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1prt h ARG 46 CO -0.02 0.40 0.00 1.58 -1.07 0.00 0.00 179.97 180.85 1prt n HIS 47 N -4.88 0.26 -1.88 3.04 -0.00 -0.20 -3.83 115.22 107.73 1prt n HIS 47 Ca 0.19 -0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.28 1prt n HIS 47 Cb 0.50 -0.12 0.00 0.00 -0.12 0.00 0.00 29.99 30.25 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 0.02 0.00 -3.57 3.57 3.14 0.72 -5.03 118.33 117.18 1prt n VAL 48 Ca 0.04 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.01 1prt n VAL 48 Cb 0.31 0.21 -0.11 0.00 -1.06 0.00 0.00 33.84 33.19 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 4.78 0.11 1.55 2.01 0.99 -5.03 115.64 120.05 1prt s THR 49 Ca 0.00 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.31 1prt s THR 49 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1prt s THR 49 CO 0.00 -0.22 0.05 -0.13 -0.69 0.00 0.00 174.62 173.63 1prt s ARG 50 N 1.60 2.69 0.32 4.92 1.81 -1.26 -2.45 118.95 126.58 1prt s ARG 50 Ca 0.03 -0.82 0.00 0.00 -1.72 0.00 0.00 55.73 53.22 1prt s ARG 50 Cb -0.19 -2.60 0.00 0.00 -0.45 0.00 0.00 34.95 31.71 1prt s ARG 50 CO 0.08 0.53 0.00 0.41 -0.68 0.00 0.00 175.30 175.64 1prt n GLY 51 N 0.32 -2.35 2.67 -3.53 0.00 -1.26 -4.34 105.19 96.70 1prt n GLY 51 Ca -0.10 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.14 2.26 -3.96 1.61 7.02 -1.26 0.11 117.44 123.08 1prt n TRP 52 Ca 0.00 -2.17 -0.32 0.00 -1.02 0.00 0.00 57.50 53.99 1prt n TRP 52 Cb 0.00 -1.32 -0.05 0.00 -2.42 0.00 0.00 31.31 27.52 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 -0.30 6.13 -0.01 -0.99 1.04 -1.26 -5.00 113.70 113.31 1prt s SER 53 Ca 0.55 0.23 0.06 0.00 0.48 0.00 0.00 55.95 57.27 1prt s SER 53 Cb 0.39 -1.85 -0.02 0.00 0.10 0.00 0.00 66.02 64.64 1prt s SER 53 CO -0.29 0.21 -0.20 -0.63 0.98 0.00 0.00 173.24 173.31 1prt s ILE 54 N -1.39 1.59 0.21 -1.02 1.01 -1.26 -1.11 121.20 119.22 1prt s ILE 54 Ca 0.30 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 60.17 1prt s ILE 54 Cb -0.13 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 1prt s ILE 54 CO 0.22 0.43 -0.20 -0.36 0.00 0.00 0.00 174.94 175.03 1prt s PHE 55 N -0.50 2.07 -0.01 3.97 0.40 -0.73 -4.75 117.98 118.43 1prt s PHE 55 Ca 0.08 -0.41 -0.15 0.00 -0.60 0.00 0.00 56.93 55.84 1prt s PHE 55 Cb -0.08 -0.98 -0.06 0.00 0.51 0.00 0.00 43.02 42.42 1prt s PHE 55 CO -0.01 0.49 0.41 0.00 0.70 0.00 0.00 175.22 176.81 1prt s ALA 56 N -2.18 3.68 0.39 5.36 0.00 -0.14 0.16 121.76 129.02 1prt s ALA 56 Ca 0.22 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.03 1prt s ALA 56 Cb -0.05 -2.41 -0.08 0.00 0.00 0.00 0.00 23.12 20.58 1prt s ALA 56 CO 0.10 0.43 -0.01 -0.51 0.00 0.00 0.00 175.76 175.77 1prt s LEU 57 N -0.89 2.80 0.07 0.00 1.43 0.77 -0.84 118.68 122.02 1prt s LEU 57 Ca 0.24 -1.34 -0.31 0.00 -1.03 0.00 0.00 54.13 51.69 1prt s LEU 57 Cb -0.16 -0.88 -0.15 0.00 0.03 0.00 0.00 46.19 45.03 1prt s LEU 57 CO 0.13 -0.41 1.48 0.22 0.23 0.00 0.00 176.35 178.00 1prt h TYR 58 N 1.85 -1.23 -0.60 0.29 3.20 -1.08 -3.20 116.97 116.20 1prt h TYR 58 Ca -0.43 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1prt h TYR 58 Cb 1.24 0.48 0.00 0.00 1.54 0.00 0.00 36.73 39.99 1prt h TYR 58 CO 0.73 -0.59 0.00 -0.40 -1.64 0.00 0.00 178.16 176.26 1prt n ASP 59 N -5.10 5.42 -0.84 -2.11 5.75 -1.26 -1.18 116.55 117.22 1prt n ASP 59 Ca -0.10 -2.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.90 1prt n ASP 59 Cb 0.40 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 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 0.79 1.18 3.32 6.12 0.00 -1.21 -0.41 105.19 114.97 1prt n GLY 60 Ca 0.27 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.43 1.75 -0.33 2.61 -4.23 -0.05 -0.16 115.64 112.79 1prt s THR 61 Ca 0.00 -1.87 -0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1prt s THR 61 Cb 0.00 -1.79 0.11 0.00 1.34 0.00 0.00 72.50 72.16 1prt s THR 61 CO 0.00 -0.31 0.12 -0.47 -0.54 0.00 0.00 174.62 173.41 1prt s TYR 62 N -2.01 1.87 -0.45 3.99 5.04 0.12 -0.64 117.35 125.27 1prt s TYR 62 Ca 0.14 -1.92 -0.29 0.00 -2.44 0.00 0.00 57.07 52.57 1prt s TYR 62 Cb -0.06 -1.81 0.01 0.00 0.35 0.00 0.00 41.96 40.46 1prt s TYR 62 CO 0.06 -0.87 1.39 -0.51 -1.34 0.00 0.00 175.55 174.28 1prt s LEU 63 N 1.37 3.55 0.00 6.97 1.02 0.34 -1.78 118.68 130.16 1prt s LEU 63 Ca 0.11 0.69 0.00 0.00 0.02 0.00 0.00 54.13 54.95 1prt s LEU 63 Cb -0.19 -3.45 0.00 0.00 0.02 0.00 0.00 46.19 42.58 1prt s LEU 63 CO -0.20 -1.48 0.00 0.61 0.02 0.00 0.00 176.35 175.31 1prt n GLY 64 N 5.10 3.41 7.00 -3.19 0.00 -0.27 -0.05 105.19 117.20 1prt n GLY 64 Ca 0.15 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 2.89 0.14 -0.02 0.00 -1.03 -2.04 105.19 110.13 1prt n GLY 65 Ca 0.00 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 13.75 0.14 0.12 1.61 4.71 0.12 -0.84 120.64 140.25 1prt n GLU 66 Ca 0.00 0.56 0.12 0.00 -0.01 0.00 0.00 57.16 57.83 1prt n GLU 66 Cb 0.00 -1.89 0.46 0.00 -1.01 0.00 0.00 31.44 29.00 1prt n GLU 66 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1prt n TYR 67 N -2.17 0.83 0.00 -0.32 4.01 -0.87 -4.97 117.16 113.67 1prt n TYR 67 Ca -0.00 0.30 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 1prt n TYR 67 Cb 0.09 -0.98 0.00 0.00 -0.31 0.00 0.00 39.34 38.14 1prt n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1prt n GLY 68 N 0.43 2.30 0.00 2.72 0.00 -0.02 -4.52 105.19 106.11 1prt n GLY 68 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.27 3.72 -0.02 0.00 -1.08 -4.49 105.19 102.06 1prt n GLY 69 Ca 0.00 0.37 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 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 5.30 -0.32 1.61 1.01 0.93 -4.93 120.40 124.00 1prt s VAL 70 Ca 0.00 0.58 -0.12 0.00 0.00 0.00 0.00 61.98 62.43 1prt s VAL 70 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1prt s VAL 70 CO 0.00 0.38 0.22 -0.63 0.00 0.00 0.00 175.10 175.07 1prt s ILE 71 N 0.52 5.29 -0.17 2.22 1.01 -1.26 -0.50 121.20 128.30 1prt s ILE 71 Ca 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.71 1prt s ILE 71 Cb -0.13 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 1prt s ILE 71 CO 0.04 0.09 -0.05 -0.75 0.00 0.00 0.00 174.94 174.27 1prt s LYS 72 N 1.74 3.54 0.90 2.79 2.20 0.19 -4.99 119.74 126.11 1prt s LYS 72 Ca 0.06 -0.58 -0.10 0.00 -0.36 0.00 0.00 55.97 54.99 1prt s LYS 72 Cb -0.17 -2.89 0.14 0.00 -1.51 0.00 0.00 37.83 33.40 1prt s LYS 72 CO 0.11 0.12 1.15 -0.51 -0.36 0.00 0.00 175.35 175.86 1prt s ASP 73 N 0.67 2.98 0.00 1.43 1.11 -1.26 -0.87 116.67 120.72 1prt s ASP 73 Ca -0.03 2.21 0.00 0.00 0.18 0.00 0.00 52.55 54.91 1prt s ASP 73 Cb -0.15 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.27 1prt s ASP 73 CO 0.02 -3.07 0.00 0.61 1.18 0.00 0.00 175.17 173.91 1prt n GLY 74 N 0.24 4.46 3.22 0.21 0.00 0.45 -4.60 105.19 109.17 1prt n GLY 74 Ca 0.12 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 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 0.42 1.46 -0.00 2.61 2.01 -1.21 -4.83 115.64 116.10 1prt s THR 75 Ca 0.00 -1.18 -0.30 0.00 0.31 0.00 0.00 61.69 60.53 1prt s THR 75 Cb 0.00 -1.30 -0.08 0.00 0.01 0.00 0.00 72.50 71.13 1prt s THR 75 CO 0.00 0.09 1.99 -2.16 -0.69 0.00 0.00 174.62 173.85 1prt s PRO 76 N -1.27 4.01 0.00 4.92 0.04 -1.26 -1.55 135.00 139.90 1prt s PRO 76 Ca 0.05 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1prt s PRO 76 Cb -0.09 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1prt s PRO 76 CO 0.02 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.37 1prt n GLY 77 N 4.68 1.24 0.27 0.56 0.00 -0.33 -4.84 105.19 106.78 1prt n GLY 77 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.41 -0.02 0.00 -1.48 -2.17 103.07 96.99 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 -2.38 2.40 0.55 3.60 0.00 -1.26 -4.30 120.51 119.12 1prt n ALA 79 Ca -0.03 -1.12 0.05 0.00 0.00 0.00 0.00 53.44 52.34 1prt n ALA 79 Cb 0.15 -0.93 0.27 0.00 0.00 0.00 0.00 19.45 18.93 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 1.48 0.00 -0.37 0.00 3.72 -0.82 -2.16 117.46 119.30 1prt n PHE 80 Ca 0.22 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.60 1prt n PHE 80 Cb 0.58 -0.07 0.11 0.00 -0.94 0.00 0.00 39.48 39.16 1prt n PHE 80 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1prt h ASP 81 N 0.00 1.13 -4.10 4.37 1.82 -1.81 -3.33 116.42 114.50 1prt h ASP 81 Ca 0.00 -0.03 -0.49 0.00 -0.39 0.00 0.00 57.03 56.12 1prt h ASP 81 Cb 0.02 -0.28 0.15 0.00 0.68 0.00 0.00 39.33 39.90 1prt h ASP 81 CO 0.00 0.82 0.25 -0.76 -1.61 0.00 0.00 179.24 177.94 1prt s LEU 82 N -10.12 2.41 0.45 2.28 1.02 -0.92 -4.98 118.68 108.82 1prt s LEU 82 Ca -0.13 1.63 0.24 0.00 0.02 0.00 0.00 54.13 55.90 1prt s LEU 82 Cb 0.18 -4.09 0.96 0.00 0.02 0.00 0.00 46.19 43.26 1prt s LEU 82 CO 0.82 -2.63 1.84 0.11 0.02 0.00 0.00 176.35 176.51 1prt h LYS 83 N -1.54 0.00 -3.67 1.70 1.57 -1.87 -3.38 116.57 109.37 1prt h LYS 83 Ca -0.48 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 57.89 1prt h LYS 83 Cb 1.27 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.21 1prt h LYS 83 CO 0.52 0.22 -0.76 0.99 -0.57 0.00 0.00 179.45 179.85 1prt s THR 84 N -3.69 0.29 -0.04 -0.16 2.01 -1.26 -3.98 115.64 108.81 1prt s THR 84 Ca 0.00 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1prt s THR 84 Cb 0.10 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1prt s THR 84 CO 0.63 0.23 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.89 1prt s THR 85 N 1.77 4.14 -0.25 -0.82 2.01 0.17 -0.97 115.64 121.69 1prt s THR 85 Ca 0.01 -0.46 -0.22 0.00 0.31 0.00 0.00 61.69 61.34 1prt s THR 85 Cb -0.13 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1prt s THR 85 CO -0.04 0.49 0.69 -0.36 -0.69 0.00 0.00 174.62 174.71 1prt s PHE 86 N -0.98 3.29 -0.09 4.92 0.08 -0.02 -0.48 117.98 124.71 1prt s PHE 86 Ca 0.16 0.92 0.02 0.00 0.12 0.00 0.00 56.93 58.15 1prt s PHE 86 Cb -0.11 -2.91 -0.02 0.00 -0.57 0.00 0.00 43.02 39.41 1prt s PHE 86 CO 0.06 -0.35 -0.15 0.00 -0.10 0.00 0.00 175.22 174.69 1prt s ILE 88 N -0.15 5.44 0.29 0.00 1.09 0.15 -1.13 121.20 126.89 1prt s ILE 88 Ca -0.01 0.29 -0.25 0.00 -1.10 0.00 0.00 60.65 59.58 1prt s ILE 88 Cb -0.14 -3.45 -0.09 0.00 -1.06 0.00 0.00 42.46 37.72 1prt s ILE 88 CO 0.03 0.61 0.90 -0.04 -0.10 0.00 0.00 174.94 176.34 1prt s MET 89 N -1.06 4.56 0.00 2.79 -1.94 0.33 -0.72 119.30 123.25 1prt s MET 89 Ca 0.17 1.26 0.26 0.00 -1.71 0.00 0.00 55.69 55.67 1prt s MET 89 Cb -0.13 -2.87 0.67 0.00 2.01 0.00 0.00 34.83 34.51 1prt s MET 89 CO 0.06 0.33 1.51 0.25 -0.01 0.00 0.00 175.02 177.16 1prt n THR 90 N 0.71 0.00 -3.96 2.05 -2.24 -1.00 -4.77 114.28 105.07 1prt n THR 90 Ca 0.01 -0.15 -0.35 0.00 -2.27 0.00 0.00 64.05 61.28 1prt n THR 90 Cb 0.50 0.52 -0.13 0.00 -2.10 0.00 0.00 70.33 69.12 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 -2.46 3.95 -0.13 4.28 2.01 -1.26 -0.71 115.64 121.31 1prt s THR 91 Ca 0.24 -0.31 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 1prt s THR 91 Cb 0.19 -2.80 0.03 0.00 0.01 0.00 0.00 72.50 69.92 1prt s THR 91 CO 0.51 0.40 -0.09 -0.60 -0.69 0.00 0.00 174.62 174.16 1prt s ARG 92 N 1.24 1.72 -1.16 4.92 3.52 0.61 -4.99 118.95 124.82 1prt s ARG 92 Ca 0.04 -0.39 -0.21 0.00 -0.13 0.00 0.00 55.73 55.04 1prt s ARG 92 Cb -0.15 -1.82 0.05 0.00 -1.56 0.00 0.00 34.95 31.48 1prt s ARG 92 CO 0.01 -0.29 1.64 -0.80 -0.81 0.00 0.00 175.30 175.05 1prt s ASN 93 N 1.63 6.53 0.33 -2.12 0.02 -1.26 0.49 114.94 120.55 1prt s ASN 93 Ca 0.04 -1.91 0.07 0.00 -1.02 0.00 0.00 52.86 50.04 1prt s ASN 93 Cb -0.13 -2.58 0.92 0.00 0.02 0.00 0.00 41.25 39.49 1prt s ASN 93 CO -0.09 -1.48 1.58 0.74 0.02 0.00 0.00 177.10 177.87 1prt h THR 94 N 6.19 0.02 0.00 1.60 2.02 -1.76 -3.45 112.91 117.53 1prt h THR 94 Ca 0.32 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1prt h THR 94 Cb 0.94 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1prt h THR 94 CO 1.42 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.93 1prt n GLY 95 N -1.43 0.79 3.83 2.16 0.00 -1.25 -5.03 105.19 104.27 1prt n GLY 95 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.34 0.72 0.60 1.61 -0.21 -1.26 -5.05 119.66 115.73 1prt s GLN 96 Ca 0.00 -0.08 -0.10 0.00 0.02 0.00 0.00 55.36 55.21 1prt s GLN 96 Cb 0.00 -1.82 -0.03 0.00 1.00 0.00 0.00 33.01 32.15 1prt s GLN 96 CO 0.00 -2.41 0.98 -1.25 -2.12 0.00 0.00 175.29 170.49 1prt s PRO 97 N -5.60 3.53 0.00 2.91 0.04 -1.26 -4.56 135.00 130.06 1prt s PRO 97 Ca 0.69 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1prt s PRO 97 Cb -0.09 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1prt s PRO 97 CO 0.53 -0.53 0.47 0.00 0.04 0.00 0.00 177.00 177.51 1prt n ALA 98 N -2.66 2.18 -1.69 8.56 0.00 -1.26 -4.33 120.51 121.31 1prt n ALA 98 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 1prt n ALA 98 Cb 0.55 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 1prt n ALA 98 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1prt n THR 99 N -0.02 1.56 -2.40 0.00 -2.24 -1.26 -4.92 114.28 105.00 1prt n THR 99 Ca 0.00 -0.39 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 1prt n THR 99 Cb 0.15 -1.55 -0.02 0.00 -2.10 0.00 0.00 70.33 66.81 1prt n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1prt s ASP 100 N -0.05 6.22 0.01 3.42 2.15 -1.26 -4.52 116.67 122.64 1prt s ASP 100 Ca 0.61 2.10 0.01 0.00 0.43 0.00 0.00 52.55 55.69 1prt s ASP 100 Cb -0.59 -2.58 -0.01 0.00 -0.30 0.00 0.00 42.92 39.44 1prt s ASP 100 CO 0.57 -0.87 -0.03 -1.00 -0.17 0.00 0.00 175.17 173.67 1prt s HIS 101 N -1.76 0.24 0.01 -5.34 3.76 -1.01 -5.00 115.29 106.19 1prt s HIS 101 Ca 0.66 -0.17 -0.02 0.00 -0.15 0.00 0.00 55.06 55.37 1prt s HIS 101 Cb -0.22 -0.15 -0.01 0.00 1.11 0.00 0.00 32.58 33.30 1prt s HIS 101 CO 0.27 -0.05 0.03 1.52 -0.85 0.00 0.00 174.74 175.66 1prt s TYR 102 N -0.45 0.16 -0.03 1.40 -0.85 -1.26 -0.83 117.35 115.49 1prt s TYR 102 Ca -0.04 -0.33 0.06 0.00 -0.52 0.00 0.00 57.07 56.24 1prt s TYR 102 Cb -0.03 -0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.17 1prt s TYR 102 CO -0.00 -0.20 -0.22 0.71 -1.52 0.00 0.00 175.55 174.32 1prt s TYR 103 N -1.25 2.04 0.40 -3.49 1.51 -0.36 -4.97 117.35 111.23 1prt s TYR 103 Ca -0.14 -0.46 0.08 0.00 -1.01 0.00 0.00 57.07 55.54 1prt s TYR 103 Cb -0.08 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1prt s TYR 103 CO -0.00 -0.09 0.29 -1.12 -1.11 0.00 0.00 175.55 173.51 1prt s SER 104 N -0.36 4.85 -0.95 2.29 0.01 -1.26 -0.69 113.70 117.59 1prt s SER 104 Ca 0.04 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1prt s SER 104 Cb -0.10 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.53 1prt s SER 104 CO 0.01 -0.56 0.00 -3.20 0.41 0.00 0.00 173.24 169.90 1prt n ASN 105 N -1.40 -2.44 -4.84 2.44 5.15 -0.77 -4.88 115.26 108.53 1prt n ASN 105 Ca 0.01 0.23 -0.33 0.00 -0.60 0.00 0.00 54.58 53.89 1prt n ASN 105 Cb 0.62 -2.41 -0.06 0.00 -0.53 0.00 0.00 39.78 37.40 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 -1.82 4.53 -0.08 3.44 -7.23 -1.04 -4.66 120.40 113.53 1prt s VAL 106 Ca 0.00 1.22 0.03 0.00 -1.81 0.00 0.00 61.98 61.42 1prt s VAL 106 Cb 0.00 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.33 1prt s VAL 106 CO 0.00 -0.31 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.43 1prt s THR 107 N -2.15 1.52 0.20 5.32 2.01 -0.10 -1.02 115.64 121.42 1prt s THR 107 Ca 0.58 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 1prt s THR 107 Cb -0.10 -1.35 -0.08 0.00 0.01 0.00 0.00 72.50 70.99 1prt s THR 107 CO 0.17 0.44 1.06 0.00 -0.69 0.00 0.00 174.62 175.60 1prt s ALA 108 N 0.56 3.36 0.26 7.40 0.00 -1.26 -0.90 121.76 131.18 1prt s ALA 108 Ca -0.16 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.54 1prt s ALA 108 Cb -0.17 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 1prt s ALA 108 CO 0.05 -0.13 0.34 0.95 0.00 0.00 0.00 175.76 176.98 1prt s THR 109 N -0.50 0.00 -0.40 0.00 -4.23 0.14 -4.82 115.64 105.83 1prt s THR 109 Ca 0.47 -1.72 -0.33 0.00 -1.18 0.00 0.00 61.69 58.93 1prt s THR 109 Cb -0.29 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.15 1prt s THR 109 CO 0.35 0.00 0.58 0.54 -0.54 0.00 0.00 174.62 175.56 1prt n ARG 110 N -0.42 -1.81 -2.77 3.99 1.74 -1.26 0.08 116.66 116.22 1prt n ARG 110 Ca 0.01 1.42 -0.35 0.00 -0.77 0.00 0.00 57.85 58.17 1prt n ARG 110 Cb 0.63 -2.23 -0.06 0.00 -1.02 0.00 0.00 32.46 29.78 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 -2.30 4.07 -0.02 0.55 1.43 -1.26 -3.74 118.68 117.42 1prt s LEU 111 Ca 0.33 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 1prt s LEU 111 Cb -0.04 -4.35 0.02 0.00 0.03 0.00 0.00 46.19 41.85 1prt s LEU 111 CO 0.78 -0.31 0.00 -0.22 0.23 0.00 0.00 176.35 176.83 1prt s LEU 112 N -2.81 1.45 0.10 1.79 0.20 -0.54 -4.98 118.68 113.88 1prt s LEU 112 Ca 0.58 -0.01 -0.03 0.00 0.69 0.00 0.00 54.13 55.36 1prt s LEU 112 Cb -0.13 -0.14 -0.03 0.00 -0.43 0.00 0.00 46.19 45.46 1prt s LEU 112 CO 0.18 -0.06 0.08 -0.94 -0.29 0.00 0.00 176.35 175.31 1prt s SER 113 N 0.64 0.31 0.00 3.68 1.04 -1.26 -0.92 113.70 117.20 1prt s SER 113 Ca -0.06 -0.99 -0.27 0.00 0.48 0.00 0.00 55.95 55.11 1prt s SER 113 Cb -0.09 0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.38 1prt s SER 113 CO -0.01 -0.70 0.62 -0.94 0.98 0.00 0.00 173.24 173.19 1prt s SER 114 N -2.96 -0.59 -0.05 7.02 1.04 -1.24 -5.06 113.70 111.87 1prt s SER 114 Ca 0.13 0.48 -0.37 0.00 0.48 0.00 0.00 55.95 56.67 1prt s SER 114 Cb 0.07 0.53 -0.15 0.00 0.10 0.00 0.00 66.02 66.57 1prt s SER 114 CO -0.05 -0.68 1.63 0.41 0.98 0.00 0.00 173.24 175.53 1prt n THR 115 N 0.62 0.23 -1.90 2.02 -1.04 -1.26 -1.71 114.28 111.24 1prt n THR 115 Ca -0.19 -0.04 -0.20 0.00 -2.04 0.00 0.00 64.05 61.58 1prt n THR 115 Cb 0.59 -1.32 -0.06 0.00 -1.82 0.00 0.00 70.33 67.72 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 4.51 -5.44 0.00 8.00 3.02 -1.26 -4.31 115.26 119.78 1prt n ASN 116 Ca 0.22 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1prt n ASN 116 Cb 0.21 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.67 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 -1.56 0.00 -4.82 6.41 2.88 -0.69 -4.78 113.62 111.06 1prt n SER 117 Ca -0.21 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.04 1prt n SER 117 Cb 0.67 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.24 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 1.63 1.52 -0.17 -1.46 1.70 -1.26 -4.69 118.95 116.21 1prt s ARG 118 Ca 0.00 0.18 0.01 0.00 -0.47 0.00 0.00 55.73 55.45 1prt s ARG 118 Cb 0.00 -1.89 0.01 0.00 -0.57 0.00 0.00 34.95 32.50 1prt s ARG 118 CO 0.00 -1.92 -0.17 -1.17 -1.08 0.00 0.00 175.30 170.96 1prt s LEU 119 N -5.81 2.32 0.25 -1.89 2.96 0.85 -3.60 118.68 113.75 1prt s LEU 119 Ca 0.63 -0.56 0.06 0.00 -0.22 0.00 0.00 54.13 54.05 1prt s LEU 119 Cb -0.13 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 1prt s LEU 119 CO 0.51 0.04 -0.08 0.00 -1.32 0.00 0.00 176.35 175.51 1prt s ALA 121 N -3.08 -0.76 -0.31 0.00 0.00 0.03 -1.47 121.76 116.16 1prt s ALA 121 Ca 0.27 0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.62 1prt s ALA 121 Cb 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1prt s ALA 121 CO 0.10 -0.22 0.20 0.08 0.00 0.00 0.00 175.76 175.91 1prt s VAL 122 N -0.81 5.11 -0.46 0.00 1.01 0.11 -0.81 120.40 124.56 1prt s VAL 122 Ca -0.09 -0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 1prt s VAL 122 Cb -0.04 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1prt s VAL 122 CO 0.03 0.10 0.62 -0.36 0.00 0.00 0.00 175.10 175.49 1prt s PHE 123 N 1.71 3.07 0.54 5.22 0.40 -0.10 0.27 117.98 129.08 1prt s PHE 123 Ca 0.06 -0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1prt s PHE 123 Cb -0.17 -3.35 0.03 0.00 0.51 0.00 0.00 43.02 40.04 1prt s PHE 123 CO 0.09 -0.90 0.76 0.14 0.70 0.00 0.00 175.22 176.01 1prt s VAL 124 N 2.72 2.81 -0.28 -0.44 -7.23 -0.08 -0.64 120.40 117.26 1prt s VAL 124 Ca 0.20 -0.65 -0.10 0.00 -1.81 0.00 0.00 61.98 59.62 1prt s VAL 124 Cb -0.16 -3.05 0.12 0.00 0.56 0.00 0.00 36.38 33.85 1prt s VAL 124 CO 0.17 -0.04 0.62 -0.60 -0.31 0.00 0.00 175.10 174.93 1prt s ARG 125 N -4.74 0.55 -1.43 4.82 3.52 0.62 -0.92 118.95 121.37 1prt s ARG 125 Ca 0.56 1.38 -0.02 0.00 -0.13 0.00 0.00 55.73 57.52 1prt s ARG 125 Cb -0.10 0.74 0.00 0.00 -1.56 0.00 0.00 34.95 34.03 1prt s ARG 125 CO 0.38 -0.20 0.23 0.43 -0.81 0.00 0.00 175.30 175.33 1prt n SER 126 N 5.36 -5.31 0.00 -2.12 7.64 -1.26 -2.36 113.62 115.56 1prt n SER 126 Ca -0.12 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1prt n SER 126 Cb 0.50 -4.28 0.00 0.00 -1.01 0.00 0.00 64.21 59.41 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 -1.19 2.63 3.86 0.23 0.00 -1.26 -5.01 105.19 104.43 1prt n GLY 127 Ca -0.16 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 3.88 0.94 1.61 -1.52 -0.99 -4.98 119.66 118.60 1prt s GLN 128 Ca 0.00 0.36 -0.10 0.00 -1.95 0.00 0.00 55.36 53.66 1prt s GLN 128 Cb 0.00 -2.91 0.16 0.00 -0.22 0.00 0.00 33.01 30.04 1prt s GLN 128 CO 0.00 0.48 1.11 -2.30 -0.25 0.00 0.00 175.29 174.33 1prt n PRO 129 N 0.69 -0.61 0.00 2.91 -0.02 -1.26 -0.27 135.00 136.43 1prt n PRO 129 Ca -0.05 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1prt n PRO 129 Cb 0.52 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1prt n PRO 129 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1prt n VAL 130 N -4.30 0.00 -3.93 -1.45 0.31 0.19 -4.67 118.33 104.48 1prt n VAL 130 Ca 0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.36 1prt n VAL 130 Cb 0.52 -0.53 -0.03 0.00 -0.91 0.00 0.00 33.84 32.89 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 -1.96 0.00 -0.00 2.52 1.10 -1.11 -4.73 121.20 117.02 1prt s ILE 131 Ca 0.00 -1.22 0.02 0.00 -0.51 0.00 0.00 60.65 58.94 1prt s ILE 131 Cb 0.00 -2.20 -0.01 0.00 0.15 0.00 0.00 42.46 40.40 1prt s ILE 131 CO 0.00 0.00 -0.06 -0.83 -2.11 0.00 0.00 174.94 171.94 1prt s GLY 132 N -2.99 0.32 0.06 1.50 0.00 -0.85 -0.92 107.32 104.44 1prt s GLY 132 Ca 0.18 -0.31 0.02 0.00 0.00 0.00 0.00 44.72 44.61 1prt s GLY 132 CO 0.09 -0.28 -0.08 0.00 0.00 0.00 0.00 173.10 172.84 1prt s ALA 133 N -0.25 0.74 0.02 3.20 0.00 0.01 -0.76 121.76 124.72 1prt s ALA 133 Ca 0.01 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 1prt s ALA 133 Cb -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1prt s ALA 133 CO -0.00 -0.08 0.03 0.00 0.00 0.00 0.00 175.76 175.70 1prt s THR 135 N -1.92 0.25 -0.02 0.00 2.01 0.18 -1.82 115.64 114.32 1prt s THR 135 Ca -0.11 -0.05 -0.03 0.00 0.31 0.00 0.00 61.69 61.81 1prt s THR 135 Cb -0.06 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.18 1prt s THR 135 CO -0.02 0.11 0.07 -0.55 -0.69 0.00 0.00 174.62 173.54 1prt s SER 136 N 0.43 -0.00 0.00 3.53 0.15 -1.26 -0.11 113.70 116.44 1prt s SER 136 Ca -0.04 -0.03 0.24 0.00 0.70 0.00 0.00 55.95 56.82 1prt s SER 136 Cb -0.07 0.16 0.34 0.00 -1.71 0.00 0.00 66.02 64.74 1prt s SER 136 CO -0.01 -0.14 1.30 -0.81 1.20 0.00 0.00 173.24 174.78 1prt n PRO 137 N 2.47 0.43 0.02 5.44 -0.04 -1.26 -4.31 135.00 137.75 1prt n PRO 137 Ca -0.16 -0.30 -0.14 0.00 -0.04 0.00 0.00 63.50 62.86 1prt n PRO 137 Cb 0.58 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.73 0.24 -3.58 0.54 -1.99 -1.89 -3.48 116.97 107.55 1prt h TYR 138 Ca 0.00 -0.18 -0.07 0.00 2.00 0.00 0.00 58.73 60.49 1prt h TYR 138 Cb 0.54 -0.01 -0.13 0.00 2.00 0.00 0.00 36.73 39.14 1prt h TYR 138 CO 0.00 1.29 -0.18 0.16 -0.00 0.00 0.00 178.16 179.43 1prt s ASP 139 N -6.62 -0.09 0.00 3.88 1.47 -1.26 -5.10 116.67 108.95 1prt s ASP 139 Ca -0.09 -0.54 0.00 0.00 1.18 0.00 0.00 52.55 53.09 1prt s ASP 139 Cb 0.07 0.45 0.00 0.00 -0.34 0.00 0.00 42.92 43.10 1prt s ASP 139 CO 0.82 -0.86 0.00 0.61 0.68 0.00 0.00 175.17 176.42 1prt n GLY 140 N -0.20 1.49 0.09 2.12 0.00 -1.26 -4.49 105.19 102.94 1prt n GLY 140 Ca -0.13 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.59 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 0.10 -1.02 1.61 3.64 -2.00 -3.38 116.57 115.53 1prt h LYS 141 Ca 0.00 -0.18 -0.65 0.00 -1.27 0.00 0.00 60.65 58.56 1prt h LYS 141 Cb 0.00 0.07 -0.29 0.00 -0.41 0.00 0.00 32.23 31.60 1prt h LYS 141 CO 0.00 0.84 0.83 0.66 -2.27 0.00 0.00 179.45 179.51 1prt n TYR 142 N -3.26 3.15 -0.22 1.91 4.01 -1.26 -4.58 117.16 116.90 1prt n TYR 142 Ca -0.16 -2.85 -0.03 0.00 -0.16 0.00 0.00 57.90 54.70 1prt n TYR 142 Cb 1.03 -1.38 0.15 0.00 -0.31 0.00 0.00 39.34 38.83 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 1.86 1.04 -0.97 -0.72 5.08 -1.75 -2.76 115.95 117.72 1prt h TRP 143 Ca 0.60 -0.06 0.26 0.00 1.08 0.00 0.00 58.89 60.77 1prt h TRP 143 Cb 1.06 -0.32 -0.06 0.00 -3.00 0.00 0.00 29.16 26.84 1prt h TRP 143 CO 1.43 0.78 0.66 0.66 -1.28 0.00 0.00 178.44 180.69 1prt h SER 144 N 1.02 0.24 -0.09 0.11 4.64 -1.88 -0.26 113.55 117.33 1prt h SER 144 Ca 0.24 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1prt h SER 144 Cb 0.16 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1prt h SER 144 CO -0.02 0.07 0.00 0.23 -0.87 0.00 0.00 176.83 176.24 1prt n MET 145 N -4.42 1.53 0.32 4.77 2.81 -1.04 -4.44 117.12 116.64 1prt n MET 145 Ca 0.21 -0.79 -0.17 0.00 -1.81 0.00 0.00 57.70 55.14 1prt n MET 145 Cb 0.90 -1.40 -0.09 0.00 -0.71 0.00 0.00 33.22 31.92 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 1.68 -1.05 -0.97 2.03 3.20 -1.16 0.28 116.97 120.98 1prt h TYR 146 Ca 0.00 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.09 1prt h TYR 146 Cb 0.36 0.39 -0.12 0.00 1.54 0.00 0.00 36.73 38.90 1prt h TYR 146 CO 0.05 -0.58 0.55 0.66 -1.64 0.00 0.00 178.16 177.20 1prt h SER 147 N -0.92 0.61 0.07 -2.11 4.64 -1.80 0.44 113.55 114.49 1prt h SER 147 Ca -0.06 0.13 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 1prt h SER 147 Cb 0.77 0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.91 1prt h SER 147 CO 0.03 0.11 -0.67 0.03 -0.87 0.00 0.00 176.83 175.47 1prt h ARG 148 N 0.57 0.32 -0.61 4.77 -0.00 -1.78 -3.34 114.38 114.32 1prt h ARG 148 Ca 0.61 -0.45 -0.01 0.00 -0.50 0.00 0.00 59.98 59.63 1prt h ARG 148 Cb 1.12 0.15 -0.03 0.00 0.00 0.00 0.00 29.97 31.21 1prt h ARG 148 CO -0.47 1.16 0.34 -0.07 0.00 0.00 0.00 179.97 180.94 1prt h LEU 149 N -0.30 0.75 -1.82 3.04 3.38 0.15 -2.17 115.31 118.34 1prt h LEU 149 Ca -0.10 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1prt h LEU 149 Cb 1.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1prt h LEU 149 CO 0.13 0.62 0.14 0.08 0.09 0.00 0.00 178.44 179.50 1prt h ARG 150 N 0.83 0.24 -0.25 1.13 -0.00 -0.38 -1.06 114.38 114.88 1prt h ARG 150 Ca 0.22 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.98 60.13 1prt h ARG 150 Cb 0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 29.93 1prt h ARG 150 CO -0.04 0.16 -0.06 0.87 -0.00 0.00 0.00 179.97 180.90 1prt h LYS 151 N 0.24 0.48 -0.30 0.08 1.57 -1.52 -1.19 116.57 115.93 1prt h LYS 151 Ca 0.08 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1prt h LYS 151 Cb 0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1prt h LYS 151 CO -0.02 0.70 -0.10 0.52 -0.57 0.00 0.00 179.45 179.98 1prt h MET 152 N 0.22 0.61 -0.25 3.15 2.86 -1.25 -2.84 114.93 117.43 1prt h MET 152 Ca 0.06 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1prt h MET 152 Cb 0.53 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 1prt h MET 152 CO 0.02 0.81 -0.06 1.25 1.06 0.00 0.00 176.91 179.99 1prt h LEU 153 N 0.37 -0.23 0.41 1.22 5.85 -1.14 -1.29 115.31 120.50 1prt h LEU 153 Ca 0.07 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1prt h LEU 153 Cb 0.60 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1prt h LEU 153 CO 0.04 -0.08 -0.36 0.22 -0.34 0.00 0.00 178.44 177.92 1prt h TYR 154 N 0.00 -0.96 -0.47 1.25 5.03 -1.24 -0.92 116.97 119.67 1prt h TYR 154 Ca 0.12 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.49 1prt h TYR 154 Cb 0.18 0.37 -0.09 0.00 1.55 0.00 0.00 36.73 38.74 1prt h TYR 154 CO -0.25 -0.51 -0.55 1.25 -1.32 0.00 0.00 178.16 176.78 1prt h LEU 155 N -0.77 -1.87 -0.98 2.82 5.85 -1.17 -0.55 115.31 118.63 1prt h LEU 155 Ca -0.04 0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1prt h LEU 155 Cb 0.68 0.78 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 1prt h LEU 155 CO -0.03 -0.39 -0.09 0.16 -0.34 0.00 0.00 178.44 177.76 1prt h ILE 156 N -0.35 1.24 -0.51 4.05 3.07 -1.27 -2.37 117.51 121.36 1prt h ILE 156 Ca 0.09 -1.05 -0.00 0.00 1.55 0.00 0.00 64.86 65.45 1prt h ILE 156 Cb 0.58 1.05 -0.02 0.00 -0.27 0.00 0.00 36.82 38.15 1prt h ILE 156 CO -0.63 0.35 0.32 0.22 -1.05 0.00 0.00 178.15 177.36 1prt h TYR 157 N 0.59 0.66 0.00 0.16 3.20 0.30 0.19 116.97 122.06 1prt h TYR 157 Ca 0.11 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1prt h TYR 157 Cb 0.51 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1prt h TYR 157 CO 0.02 0.44 -0.25 -0.39 -1.64 0.00 0.00 178.16 176.35 1prt h VAL 158 N 0.68 0.38 0.00 1.81 -1.51 -1.12 -3.33 116.25 113.16 1prt h VAL 158 Ca 0.18 -1.54 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1prt h VAL 158 Cb -0.03 2.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1prt h VAL 158 CO -0.04 0.22 -1.40 0.00 -1.23 0.00 0.00 177.57 175.12 1prt n ALA 159 N -2.16 2.84 -2.19 5.19 0.00 -0.90 -4.98 120.51 118.31 1prt n ALA 159 Ca 0.03 -0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 1prt n ALA 159 Cb 0.62 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 1.25 0.35 3.65 0.00 0.00 0.63 -4.98 105.19 106.08 1prt n GLY 160 Ca -0.01 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.36 4.39 0.63 -0.61 1.01 -1.03 -5.00 121.20 118.23 1prt s ILE 161 Ca 0.02 1.63 -0.18 0.00 0.00 0.00 0.00 60.65 62.12 1prt s ILE 161 Cb -0.01 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1prt s ILE 161 CO 0.02 -0.33 1.23 -0.44 0.00 0.00 0.00 174.94 175.42 1prt s SER 162 N 1.95 4.88 0.13 3.58 0.01 -1.26 -4.68 113.70 118.30 1prt s SER 162 Ca 0.50 2.44 -0.02 0.00 1.31 0.00 0.00 55.95 60.18 1prt s SER 162 Cb -0.16 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.47 1prt s SER 162 CO 0.15 -1.81 0.20 0.55 0.41 0.00 0.00 173.24 172.75 1prt n VAL 163 N -1.87 0.00 -3.83 3.43 3.14 -0.19 -4.53 118.33 114.48 1prt n VAL 163 Ca 0.14 -0.53 -0.29 0.00 -2.96 0.00 0.00 64.34 60.69 1prt n VAL 163 Cb 0.49 0.37 -0.16 0.00 -1.06 0.00 0.00 33.84 33.48 1prt n VAL 163 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1prt s ARG 164 N -2.20 1.09 0.27 1.45 6.06 -0.98 -1.84 118.95 122.79 1prt s ARG 164 Ca 0.09 -0.90 -0.19 0.00 -2.50 0.00 0.00 55.73 52.23 1prt s ARG 164 Cb -0.01 -2.33 -0.09 0.00 0.06 0.00 0.00 34.95 32.58 1prt s ARG 164 CO 0.06 -0.73 0.76 0.54 -2.50 0.00 0.00 175.30 173.43 1prt s VAL 165 N 1.56 4.56 -0.10 7.11 0.11 0.13 -2.22 120.40 131.55 1prt s VAL 165 Ca 0.01 1.25 0.03 0.00 -2.93 0.00 0.00 61.98 60.34 1prt s VAL 165 Cb -0.18 -3.79 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1prt s VAL 165 CO -0.12 0.07 -0.22 -1.00 -3.33 0.00 0.00 175.10 170.51 1prt s HIS 166 N -1.69 2.39 0.14 1.54 3.76 -0.31 -1.22 115.29 119.90 1prt s HIS 166 Ca 0.48 -1.01 0.03 0.00 -0.15 0.00 0.00 55.06 54.40 1prt s HIS 166 Cb -0.15 -1.62 -0.04 0.00 1.11 0.00 0.00 32.58 31.88 1prt s HIS 166 CO 0.20 -0.43 -0.07 0.14 -0.85 0.00 0.00 174.74 173.73 1prt s VAL 167 N 0.48 0.93 -0.13 -0.90 -7.23 -0.01 0.05 120.40 113.59 1prt s VAL 167 Ca -0.16 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.03 1prt s VAL 167 Cb -0.17 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 34.93 1prt s VAL 167 CO 0.06 -0.74 -0.21 -0.55 -0.31 0.00 0.00 175.10 173.35 1prt s SER 168 N -3.13 3.27 -0.03 4.85 0.15 -0.73 -2.39 113.70 115.70 1prt s SER 168 Ca 0.16 -0.55 0.05 0.00 0.70 0.00 0.00 55.95 56.32 1prt s SER 168 Cb 0.04 -1.47 0.20 0.00 -1.71 0.00 0.00 66.02 63.08 1prt s SER 168 CO -0.01 0.11 1.03 0.29 1.20 0.00 0.00 173.24 175.86 1prt n LYS 169 N 3.86 1.71 0.00 5.44 5.02 -1.26 -3.31 118.16 129.61 1prt n LYS 169 Ca -0.19 -0.78 0.09 0.00 -2.02 0.00 0.00 58.31 55.41 1prt n LYS 169 Cb 0.52 -1.38 0.44 0.00 -0.02 0.00 0.00 35.03 34.59 1prt n LYS 169 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1prt n GLU 170 N 0.12 0.11 -3.78 1.97 1.02 -1.26 -4.38 120.64 114.44 1prt n GLU 170 Ca 0.07 0.14 -0.13 0.00 -0.02 0.00 0.00 57.16 57.23 1prt n GLU 170 Cb 0.31 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.10 1prt n GLU 170 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1prt s GLU 171 N -2.84 0.20 -0.02 3.49 2.02 -1.25 -2.73 118.70 117.57 1prt s GLU 171 Ca 0.13 0.34 0.05 0.00 0.02 0.00 0.00 54.97 55.51 1prt s GLU 171 Cb 0.13 0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.34 1prt s GLU 171 CO 0.33 -0.08 -0.16 -0.65 0.02 0.00 0.00 175.26 174.72 1prt s GLN 172 N 0.53 2.33 -0.03 1.61 -1.52 0.18 -3.41 119.66 119.35 1prt s GLN 172 Ca -0.04 -0.81 0.04 0.00 -1.95 0.00 0.00 55.36 52.61 1prt s GLN 172 Cb -0.05 -2.29 -0.00 0.00 -0.22 0.00 0.00 33.01 30.45 1prt s GLN 172 CO -0.03 0.59 -0.15 0.71 -0.25 0.00 0.00 175.29 176.16 1prt s TYR 173 N -0.79 1.50 -0.27 0.91 2.02 -0.24 -0.28 117.35 120.20 1prt s TYR 173 Ca 0.13 -0.38 0.10 0.00 -0.37 0.00 0.00 57.07 56.55 1prt s TYR 173 Cb -0.11 -1.01 0.51 0.00 -0.40 0.00 0.00 41.96 40.96 1prt s TYR 173 CO 0.02 -0.12 1.47 0.66 -1.57 0.00 0.00 175.55 176.01 1prt n TYR 174 N 3.05 1.11 0.02 2.71 4.01 0.11 -4.41 117.16 123.77 1prt n TYR 174 Ca -0.17 -1.45 -0.01 0.00 -0.16 0.00 0.00 57.90 56.11 1prt n TYR 174 Cb 0.54 -0.47 0.28 0.00 -0.31 0.00 0.00 39.34 39.38 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 1.15 0.45 -3.80 7.72 5.19 -1.94 -3.43 116.42 121.75 1prt h ASP 175 Ca 0.19 -0.11 -0.50 0.00 -0.62 0.00 0.00 57.03 55.99 1prt h ASP 175 Cb 1.65 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 41.05 1prt h ASP 175 CO 0.38 0.59 0.44 -0.31 -3.12 0.00 0.00 179.24 177.21 1prt s TYR 176 N -4.78 3.67 -0.24 4.55 2.02 -1.26 -4.99 117.35 116.32 1prt s TYR 176 Ca -0.07 1.76 -0.20 0.00 -0.37 0.00 0.00 57.07 58.18 1prt s TYR 176 Cb 0.15 -3.20 -0.02 0.00 -0.40 0.00 0.00 41.96 38.49 1prt s TYR 176 CO 0.77 -0.28 0.62 -1.21 -1.57 0.00 0.00 175.55 173.87 1prt s GLU 177 N -1.43 4.14 -1.19 -0.62 2.02 -1.26 -4.31 118.70 116.04 1prt s GLU 177 Ca 0.44 0.55 -0.03 0.00 0.02 0.00 0.00 54.97 55.96 1prt s GLU 177 Cb -0.30 -3.63 -0.02 0.00 0.10 0.00 0.00 34.13 30.29 1prt s GLU 177 CO 0.38 -0.35 0.88 -0.25 0.02 0.00 0.00 175.26 175.94 1prt n ASP 178 N 5.49 -3.00 -4.76 -0.19 8.00 -1.26 -4.93 116.55 115.90 1prt n ASP 178 Ca -0.01 -0.73 -0.39 0.00 0.71 0.00 0.00 54.79 54.37 1prt n ASP 178 Cb 0.49 -4.71 -0.06 0.00 -0.02 0.00 0.00 41.12 36.82 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 -3.47 3.33 -0.35 2.24 0.00 -1.26 -4.86 121.76 117.39 1prt s ALA 179 Ca 0.13 0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.75 1prt s ALA 179 Cb -0.03 -3.17 0.72 0.00 0.00 0.00 0.00 23.12 20.65 1prt s ALA 179 CO 0.77 0.22 1.80 0.25 0.00 0.00 0.00 175.76 178.79 1prt n THR 180 N 1.35 2.91 -3.71 0.00 -2.24 -1.26 -1.15 114.28 110.17 1prt n THR 180 Ca -0.02 -1.61 -0.14 0.00 -2.27 0.00 0.00 64.05 60.02 1prt n THR 180 Cb 0.48 -0.39 -0.09 0.00 -2.10 0.00 0.00 70.33 68.23 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 -2.95 -0.36 0.64 4.78 -0.12 -1.26 -4.97 117.98 113.75 1prt s PHE 181 Ca 0.54 0.71 -0.11 0.00 -0.05 0.00 0.00 56.93 58.02 1prt s PHE 181 Cb 0.43 0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.97 1prt s PHE 181 CO 0.13 -0.37 1.05 -1.21 -0.05 0.00 0.00 175.22 174.77 1prt s GLU 182 N -0.76 3.36 -0.07 1.99 8.01 -1.26 -4.88 118.70 125.08 1prt s GLU 182 Ca -0.08 0.64 -0.01 0.00 0.01 0.00 0.00 54.97 55.52 1prt s GLU 182 Cb -0.04 -2.07 0.03 0.00 -4.31 0.00 0.00 34.13 27.74 1prt s GLU 182 CO 0.04 -0.71 -0.00 0.99 0.01 0.00 0.00 175.26 175.58 1prt s THR 183 N -3.23 0.38 0.47 3.63 2.01 -1.26 -2.01 115.64 115.64 1prt s THR 183 Ca 0.56 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.68 1prt s THR 183 Cb -0.11 -0.52 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 1prt s THR 183 CO 0.53 0.25 0.08 -0.31 -0.69 0.00 0.00 174.62 174.49 1prt s TYR 184 N 1.82 1.78 -0.02 4.92 2.02 0.06 -1.08 117.35 126.85 1prt s TYR 184 Ca 0.03 -1.20 -0.30 0.00 -0.37 0.00 0.00 57.07 55.23 1prt s TYR 184 Cb -0.13 -1.33 -0.07 0.00 -0.40 0.00 0.00 41.96 40.04 1prt s TYR 184 CO -0.05 -0.12 1.75 0.00 -1.57 0.00 0.00 175.55 175.56 1prt s ALA 185 N -3.06 3.61 0.26 3.71 0.00 -1.21 -2.26 121.76 122.81 1prt s ALA 185 Ca 0.13 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.87 1prt s ALA 185 Cb 0.01 -3.77 -0.10 0.00 0.00 0.00 0.00 23.12 19.26 1prt s ALA 185 CO 0.09 -1.43 1.39 -1.17 0.00 0.00 0.00 175.76 174.64 1prt s LEU 186 N 4.09 4.40 0.00 0.00 0.20 -0.76 -1.77 118.68 124.85 1prt s LEU 186 Ca 0.78 2.64 0.00 0.00 0.69 0.00 0.00 54.13 58.24 1prt s LEU 186 Cb -0.36 -3.63 0.00 0.00 -0.43 0.00 0.00 46.19 41.77 1prt s LEU 186 CO 0.33 -0.64 0.00 1.07 -0.29 0.00 0.00 176.35 176.82 1prt n THR 187 N 2.01 0.00 -3.60 3.68 5.66 0.11 -4.87 114.28 117.26 1prt n THR 187 Ca 0.05 -0.13 -0.03 0.00 -3.05 0.00 0.00 64.05 60.89 1prt n THR 187 Cb 0.41 0.62 -0.02 0.00 -1.55 0.00 0.00 70.33 69.79 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 -0.78 -0.30 -0.06 1.09 0.00 -0.74 -4.95 107.32 101.58 1prt s GLY 188 Ca 0.00 1.54 -0.05 0.00 0.00 0.00 0.00 44.72 46.21 1prt s GLY 188 CO 0.00 0.50 0.16 -0.42 0.00 0.00 0.00 173.10 173.34 1prt s ILE 189 N -2.36 -0.01 -0.21 0.90 1.01 -1.26 -1.16 121.20 118.11 1prt s ILE 189 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.75 1prt s ILE 189 Cb -0.00 -0.23 0.06 0.00 0.01 0.00 0.00 42.46 42.30 1prt s ILE 189 CO -0.04 0.01 0.03 -0.44 0.00 0.00 0.00 174.94 174.50 1prt s SER 190 N 0.23 3.15 -0.36 3.58 0.01 -0.94 -4.97 113.70 114.40 1prt s SER 190 Ca -0.01 -0.95 -0.28 0.00 1.31 0.00 0.00 55.95 56.01 1prt s SER 190 Cb -0.02 -0.70 -0.01 0.00 0.21 0.00 0.00 66.02 65.50 1prt s SER 190 CO -0.01 -0.31 1.67 -0.63 0.41 0.00 0.00 173.24 174.38 1prt s ILE 191 N 1.77 3.61 0.04 1.44 -1.09 -1.26 -2.33 121.20 123.39 1prt s ILE 191 Ca -0.01 0.62 0.09 0.00 -2.23 0.00 0.00 60.65 59.12 1prt s ILE 191 Cb -0.17 -3.84 -0.03 0.00 -1.58 0.00 0.00 42.46 36.84 1prt s ILE 191 CO -0.10 -0.54 -0.26 0.00 -1.23 0.00 0.00 174.94 172.82 1prt s ASN 193 N -1.21 6.69 -0.37 0.00 0.01 -1.26 -4.93 114.94 113.87 1prt s ASN 193 Ca 0.11 0.84 -0.34 0.00 -0.71 0.00 0.00 52.86 52.76 1prt s ASN 193 Cb -0.10 -2.36 -0.15 0.00 0.41 0.00 0.00 41.25 39.05 1prt s ASN 193 CO 0.02 -0.35 1.23 -2.65 -1.51 0.00 0.00 177.10 173.83 1prt n PRO 194 N 5.45 0.00 -1.92 -0.60 -0.02 -1.26 -0.19 135.00 136.45 1prt n PRO 194 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.29 1prt n PRO 194 Cb 0.49 -1.10 -0.05 0.00 -0.02 0.00 0.00 33.50 32.82 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 3.28 0.86 3.88 -1.23 0.00 -1.26 -4.97 105.19 105.74 1prt n GLY 195 Ca 0.25 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1prt n GLY 195 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1prt s SER 196 N -2.49 3.67 0.39 1.61 1.04 0.73 -4.96 113.70 113.68 1prt s SER 196 Ca 0.00 0.62 0.24 0.00 0.48 0.00 0.00 55.95 57.29 1prt s SER 196 Cb 0.00 -0.96 0.43 0.00 0.10 0.00 0.00 66.02 65.59 1prt s SER 196 CO 0.00 -2.42 1.63 -1.28 0.98 0.00 0.00 173.24 172.16 1prt h SER 197 N -1.41 0.00 1.50 7.02 0.87 -1.93 -3.31 113.55 116.28 1prt h SER 197 Ca -0.46 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.04 1prt h SER 197 Cb 1.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1prt h SER 197 CO 0.54 0.00 -0.28 -0.07 -0.53 0.00 0.00 176.83 176.49 1prt h LEU 198 N 0.00 0.00 0.00 2.23 3.38 -1.93 -3.54 115.31 115.46 1prt h LEU 198 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1prt h LEU 198 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1prt h LEU 198 CO 0.00 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.81