#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frf h HIS 5 N 0.00 0.56 -3.94 5.64 2.76 -2.02 -3.40 115.15 114.77 1frf h HIS 5 Ca 0.00 -0.00 -0.62 0.00 -2.20 0.00 0.00 60.37 57.55 1frf h HIS 5 Cb 0.00 -0.18 -0.31 0.00 1.55 0.00 0.00 27.41 28.46 1frf h HIS 5 CO 0.00 0.41 -0.86 1.03 -1.30 0.00 0.00 177.93 177.21 1frf s ARG 6 N -5.39 2.12 0.34 5.26 0.52 -1.26 -5.10 118.95 115.44 1frf s ARG 6 Ca -0.08 -0.73 -0.29 0.00 -0.52 0.00 0.00 55.73 54.11 1frf s ARG 6 Cb 0.17 -1.81 -0.11 0.00 0.52 0.00 0.00 34.95 33.72 1frf s ARG 6 CO 0.74 0.30 1.43 -2.14 0.02 0.00 0.00 175.30 175.66 1frf s PRO 7 N -0.04 4.20 -0.18 3.54 0.02 -1.24 -4.54 135.00 136.77 1frf s PRO 7 Ca -0.04 2.43 -0.20 0.00 0.02 0.00 0.00 61.00 63.21 1frf s PRO 7 Cb -0.13 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 1frf s PRO 7 CO 0.03 -0.42 0.58 0.45 -0.33 0.00 0.00 177.00 177.31 1frf s SER 8 N -0.16 6.66 -0.10 2.53 0.15 -1.26 0.12 113.70 121.63 1frf s SER 8 Ca 0.53 0.80 0.03 0.00 0.70 0.00 0.00 55.95 58.00 1frf s SER 8 Cb -0.44 -2.32 -0.01 0.00 -1.71 0.00 0.00 66.02 61.54 1frf s SER 8 CO 0.57 -0.19 -0.19 -0.69 1.20 0.00 0.00 173.24 173.93 1frf s VAL 9 N 1.57 2.51 -0.21 4.45 1.01 -0.66 -0.97 120.40 128.09 1frf s VAL 9 Ca 0.27 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1frf s VAL 9 Cb -0.16 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1frf s VAL 9 CO 0.11 0.55 -0.03 -0.69 0.00 0.00 0.00 175.10 175.04 1frf s VAL 10 N 0.23 3.59 -0.18 2.92 1.01 0.11 -1.04 120.40 127.05 1frf s VAL 10 Ca -0.13 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 1frf s VAL 10 Cb -0.16 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1frf s VAL 10 CO 0.07 0.42 -0.00 0.86 0.00 0.00 0.00 175.10 176.45 1frf s TRP 11 N 1.28 3.07 -0.00 5.22 -0.11 -0.58 -1.25 118.94 126.57 1frf s TRP 11 Ca 0.04 -0.31 0.04 0.00 1.22 0.00 0.00 56.10 57.08 1frf s TRP 11 Cb -0.14 -2.04 -0.03 0.00 -1.50 0.00 0.00 33.47 29.75 1frf s TRP 11 CO -0.01 -0.10 -0.11 -0.51 -4.62 0.00 0.00 176.95 171.60 1frf s LEU 12 N 0.68 2.94 -0.15 5.86 1.02 0.23 -4.21 118.68 125.05 1frf s LEU 12 Ca -0.00 -0.22 0.02 0.00 0.02 0.00 0.00 54.13 53.95 1frf s LEU 12 Cb -0.14 -1.68 0.01 0.00 0.02 0.00 0.00 46.19 44.40 1frf s LEU 12 CO 0.02 0.29 -0.21 -1.00 0.02 0.00 0.00 176.35 175.48 1frf s HIS 13 N -0.91 2.66 0.00 0.29 3.76 -1.26 -1.26 115.29 118.57 1frf s HIS 13 Ca 0.15 -1.43 0.00 0.00 -0.15 0.00 0.00 55.06 53.63 1frf s HIS 13 Cb -0.11 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.75 1frf s HIS 13 CO 0.05 -0.68 0.00 0.09 -0.85 0.00 0.00 174.74 173.36 1frf n ASN 14 N 4.28 0.00 -4.55 1.40 5.03 -0.01 -4.99 115.26 116.42 1frf n ASN 14 Ca -0.20 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.84 1frf n ASN 14 Cb 0.51 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.24 1frf n ASN 14 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1frf s ALA 15 N -2.00 2.68 0.25 5.41 0.00 0.17 -4.86 121.76 123.41 1frf s ALA 15 Ca 0.00 -1.40 -0.11 0.00 0.00 0.00 0.00 51.96 50.45 1frf s ALA 15 Cb 0.00 -4.30 -0.01 0.00 0.00 0.00 0.00 23.12 18.81 1frf s ALA 15 CO 0.00 -3.40 0.45 -1.83 0.00 0.00 0.00 175.76 170.97 1frf s GLU 16 N 5.79 1.54 0.00 0.00 4.04 -1.26 -0.94 118.70 127.87 1frf s GLU 16 Ca 0.40 -1.32 0.14 0.00 0.04 0.00 0.00 54.97 54.23 1frf s GLU 16 Cb -0.08 0.45 0.00 0.00 0.02 0.00 0.00 34.13 34.53 1frf s GLU 16 CO 0.13 -0.63 0.79 0.00 -1.84 0.00 0.00 175.26 173.71 1frf n THR 18 N -0.12 0.00 0.25 0.00 -1.04 -1.26 -4.88 114.28 107.22 1frf n THR 18 Ca 0.06 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.20 1frf n THR 18 Cb 0.30 -0.32 0.61 0.00 -1.82 0.00 0.00 70.33 69.10 1frf n THR 18 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1frf h GLY 19 N 0.00 0.00 1.57 3.41 0.00 -1.98 -1.46 103.07 104.61 1frf h GLY 19 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1frf h GLY 19 CO 0.00 0.00 -1.17 0.00 0.00 0.00 0.00 176.54 175.37 1frf h THR 21 N 0.00 1.32 -0.58 0.00 2.02 -1.88 -1.04 112.91 112.75 1frf h THR 21 Ca -0.11 -1.97 -0.08 0.00 0.77 0.00 0.00 66.41 65.02 1frf h THR 21 Cb 1.75 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 70.08 1frf h THR 21 CO 0.09 0.61 0.05 -0.33 0.37 0.00 0.00 175.52 176.31 1frf h GLU 22 N 0.43 1.00 -0.56 6.66 4.39 -1.29 -2.61 114.58 122.60 1frf h GLU 22 Ca -0.02 -0.29 -0.10 0.00 0.34 0.00 0.00 59.36 59.28 1frf h GLU 22 Cb 1.27 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 1frf h GLU 22 CO 0.13 0.97 -0.06 0.00 -1.16 0.00 0.00 179.01 178.89 1frf h ALA 23 N 0.99 0.76 -0.60 3.43 0.00 -1.02 -2.89 119.26 119.93 1frf h ALA 23 Ca 0.17 -0.33 0.09 0.00 0.00 0.00 0.00 54.91 54.84 1frf h ALA 23 Cb 0.49 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1frf h ALA 23 CO 0.02 0.64 0.21 0.00 0.00 0.00 0.00 179.25 180.13 1frf h ALA 24 N 0.95 0.77 0.00 0.00 0.00 -0.97 0.29 119.26 120.30 1frf h ALA 24 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1frf h ALA 24 Cb 0.62 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1frf h ALA 24 CO 0.04 -0.21 0.00 0.44 0.00 0.00 0.00 179.25 179.52 1frf n ILE 25 N -5.01 0.55 1.43 0.00 -5.35 -1.00 -2.01 119.36 107.96 1frf n ILE 25 Ca 0.08 0.14 0.14 0.00 -0.27 0.00 0.00 62.75 62.85 1frf n ILE 25 Cb 0.27 -0.81 0.69 0.00 -1.74 0.00 0.00 39.64 38.05 1frf n ILE 25 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1frf n ARG 26 N -1.40 0.56 -2.12 6.28 5.12 0.09 -4.68 116.66 120.51 1frf n ARG 26 Ca 0.07 -0.11 -0.38 0.00 -1.93 0.00 0.00 57.85 55.49 1frf n ARG 26 Cb 0.19 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 29.99 1frf n ARG 26 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1frf s THR 27 N -2.52 2.79 0.08 0.55 -1.32 -0.85 -4.91 115.64 109.46 1frf s THR 27 Ca 0.29 0.65 0.03 0.00 -1.21 0.00 0.00 61.69 61.45 1frf s THR 27 Cb 0.20 -3.36 -0.03 0.00 -1.51 0.00 0.00 72.50 67.80 1frf s THR 27 CO 0.47 0.05 -0.10 0.27 -2.21 0.00 0.00 174.62 173.10 1frf s ILE 28 N -1.38 0.83 -0.49 5.08 -4.36 -1.26 -4.08 121.20 115.54 1frf s ILE 28 Ca 0.61 -1.47 -0.02 0.00 -0.26 0.00 0.00 60.65 59.52 1frf s ILE 28 Cb -0.34 -1.14 -0.02 0.00 1.25 0.00 0.00 42.46 42.21 1frf s ILE 28 CO 0.43 -0.49 0.42 0.29 0.24 0.00 0.00 174.94 175.82 1frf n LYS 29 N 0.85 -1.70 -2.91 0.37 4.76 -1.26 -4.68 118.16 113.60 1frf n LYS 29 Ca -0.18 0.38 -0.21 0.00 -2.87 0.00 0.00 58.31 55.43 1frf n LYS 29 Cb 0.57 -3.64 0.02 0.00 -1.84 0.00 0.00 35.03 30.14 1frf n LYS 29 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1frf s PRO 30 N -3.97 2.83 0.59 1.97 0.04 -1.26 -4.97 135.00 130.23 1frf s PRO 30 Ca 0.13 -0.78 -0.15 0.00 0.04 0.00 0.00 61.00 60.25 1frf s PRO 30 Cb -0.02 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 1frf s PRO 30 CO 0.33 -0.41 1.04 0.71 0.04 0.00 0.00 177.00 178.71 1frf s TYR 31 N -2.56 3.20 0.18 0.56 1.51 -1.26 -4.78 117.35 114.20 1frf s TYR 31 Ca 0.52 1.46 -0.20 0.00 -1.01 0.00 0.00 57.07 57.84 1frf s TYR 31 Cb -0.10 -2.90 0.11 0.00 -0.11 0.00 0.00 41.96 38.97 1frf s TYR 31 CO 0.37 -0.89 1.60 0.97 -1.11 0.00 0.00 175.55 176.49 1frf h ILE 32 N 0.29 0.25 -1.00 2.71 6.09 -1.84 -1.41 117.51 122.60 1frf h ILE 32 Ca -0.46 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 63.12 1frf h ILE 32 Cb 1.21 0.25 -0.07 0.00 0.47 0.00 0.00 36.82 38.67 1frf h ILE 32 CO 0.59 0.00 0.64 -2.24 -3.07 0.00 0.00 178.15 174.07 1frf h ASP 33 N -0.17 0.99 0.42 2.19 -0.00 -1.96 -0.46 116.42 117.42 1frf h ASP 33 Ca 0.22 0.02 -0.02 0.00 -0.00 0.00 0.00 57.03 57.25 1frf h ASP 33 Cb 0.52 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 39.67 1frf h ASP 33 CO -0.60 0.59 -0.20 0.00 -0.00 0.00 0.00 179.24 179.03 1frf h ALA 34 N 1.49 -0.57 -0.54 4.15 0.00 -1.65 0.34 119.26 122.49 1frf h ALA 34 Ca 0.45 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.32 1frf h ALA 34 Cb 0.29 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1frf h ALA 34 CO -0.20 -0.81 0.12 1.25 0.00 0.00 0.00 179.25 179.61 1frf h LEU 35 N -0.59 0.02 -0.43 0.00 7.12 -0.89 0.33 115.31 120.87 1frf h LEU 35 Ca -0.06 0.09 -0.13 0.00 0.13 0.00 0.00 57.88 57.92 1frf h LEU 35 Cb 0.45 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.69 1frf h LEU 35 CO 0.10 0.03 -0.23 0.40 -0.13 0.00 0.00 178.44 178.61 1frf h ILE 36 N 0.26 1.27 0.08 4.05 5.03 -0.72 0.24 117.51 127.73 1frf h ILE 36 Ca 0.27 -1.38 -0.31 0.00 -0.12 0.00 0.00 64.86 63.32 1frf h ILE 36 Cb 0.38 1.23 -0.02 0.00 -3.03 0.00 0.00 36.82 35.38 1frf h ILE 36 CO -0.35 0.47 -1.64 -0.07 -0.68 0.00 0.00 178.15 175.88 1frf h LEU 37 N 0.75 0.28 0.00 1.44 3.38 -0.03 -3.41 115.31 117.72 1frf h LEU 37 Ca 0.09 -0.46 -0.35 0.00 0.09 0.00 0.00 57.88 57.25 1frf h LEU 37 Cb 0.80 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1frf h LEU 37 CO 0.07 1.40 -2.33 0.47 0.09 0.00 0.00 178.44 178.13 1frf n ASP 38 N -3.35 1.93 -0.08 -0.43 10.43 0.11 -4.93 116.55 120.23 1frf n ASP 38 Ca -0.19 -0.11 -0.08 0.00 2.57 0.00 0.00 54.79 56.98 1frf n ASP 38 Cb 1.04 -0.19 -0.03 0.00 1.84 0.00 0.00 41.12 43.79 1frf n ASP 38 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1frf n THR 39 N -3.12 1.40 -3.44 -3.53 -1.04 -0.34 -4.98 114.28 99.23 1frf n THR 39 Ca -0.40 0.17 -0.06 0.00 -2.04 0.00 0.00 64.05 61.72 1frf n THR 39 Cb 0.97 -2.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 1frf n THR 39 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1frf n ILE 40 N -4.35 0.00 -3.46 12.58 -5.35 0.70 -3.72 119.36 115.75 1frf n ILE 40 Ca -0.12 -0.51 -0.28 0.00 -0.27 0.00 0.00 62.75 61.56 1frf n ILE 40 Cb 0.46 -0.52 -0.11 0.00 -1.74 0.00 0.00 39.64 37.73 1frf n ILE 40 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1frf s SER 41 N -1.81 2.11 -0.59 7.28 0.15 0.31 -4.56 113.70 116.60 1frf s SER 41 Ca 0.09 -2.94 -0.26 0.00 0.70 0.00 0.00 55.95 53.55 1frf s SER 41 Cb -0.01 -0.56 -0.07 0.00 -1.71 0.00 0.00 66.02 63.67 1frf s SER 41 CO 0.06 -0.20 2.30 -0.22 1.20 0.00 0.00 173.24 176.38 1frf s LEU 42 N 0.15 3.28 0.11 3.45 2.96 -1.26 -1.65 118.68 125.71 1frf s LEU 42 Ca 0.28 0.68 0.24 0.00 -0.22 0.00 0.00 54.13 55.11 1frf s LEU 42 Cb -0.04 -2.52 0.21 0.00 0.50 0.00 0.00 46.19 44.35 1frf s LEU 42 CO -0.14 -2.98 1.19 0.47 -1.32 0.00 0.00 176.35 173.57 1frf n ASP 43 N 15.84 0.69 -3.74 3.68 10.43 -0.20 -4.82 116.55 138.42 1frf n ASP 43 Ca 0.36 0.05 -0.13 0.00 2.57 0.00 0.00 54.79 57.64 1frf n ASP 43 Cb 0.52 0.40 -0.14 0.00 1.84 0.00 0.00 41.12 43.74 1frf n ASP 43 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1frf s TYR 44 N -3.20 -0.23 -0.33 1.24 5.04 -1.25 -4.75 117.35 113.87 1frf s TYR 44 Ca 0.04 0.61 -0.07 0.00 -2.44 0.00 0.00 57.07 55.22 1frf s TYR 44 Cb 0.13 -0.04 0.19 0.00 0.35 0.00 0.00 41.96 42.59 1frf s TYR 44 CO 0.75 -0.20 0.98 -1.14 -1.34 0.00 0.00 175.55 174.60 1frf s GLN 45 N 1.27 0.27 0.51 4.97 -0.44 -1.26 -1.52 119.66 123.46 1frf s GLN 45 Ca -0.09 -0.02 0.27 0.00 -2.50 0.00 0.00 55.36 53.02 1frf s GLN 45 Cb -0.11 0.05 1.38 0.00 -1.64 0.00 0.00 33.01 32.69 1frf s GLN 45 CO -0.07 -0.41 1.91 0.93 0.50 0.00 0.00 175.29 178.16 1frf h GLU 46 N 6.11 0.08 -0.07 1.67 5.08 -1.93 0.51 114.58 126.03 1frf h GLU 46 Ca -0.04 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1frf h GLU 46 Cb 1.21 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1frf h GLU 46 CO -0.05 0.05 -0.34 1.15 -1.00 0.00 0.00 179.01 178.82 1frf h THR 47 N 0.08 1.27 0.00 1.13 2.02 -1.97 -3.33 112.91 112.10 1frf h THR 47 Ca 0.38 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1frf h THR 47 Cb 1.41 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1frf h THR 47 CO -0.04 0.37 0.00 2.30 0.37 0.00 0.00 175.52 178.53 1frf n ILE 48 N -4.10 0.00 -2.33 3.11 -5.35 -1.01 -5.06 119.36 104.62 1frf n ILE 48 Ca -0.02 -0.39 -0.41 0.00 -0.27 0.00 0.00 62.75 61.67 1frf n ILE 48 Cb 0.41 1.13 -0.03 0.00 -1.74 0.00 0.00 39.64 39.41 1frf n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1frf s MET 49 N -0.31 4.51 0.09 6.28 0.23 0.14 -4.97 119.30 125.26 1frf s MET 49 Ca 0.00 1.96 -0.17 0.00 -1.03 0.00 0.00 55.69 56.45 1frf s MET 49 Cb 0.00 -3.16 -0.08 0.00 -1.53 0.00 0.00 34.83 30.06 1frf s MET 49 CO 0.00 0.01 1.46 0.00 -2.03 0.00 0.00 175.02 174.46 1frf h ALA 50 N 4.03 0.38 -2.40 3.16 0.00 -1.93 -3.45 119.26 119.05 1frf h ALA 50 Ca -0.47 -0.31 -0.51 0.00 0.00 0.00 0.00 54.91 53.62 1frf h ALA 50 Cb 1.22 -0.09 0.13 0.00 0.00 0.00 0.00 17.79 19.04 1frf h ALA 50 CO 0.68 0.24 0.34 0.00 0.00 0.00 0.00 179.25 180.51 1frf s ALA 51 N -4.65 2.24 0.25 0.00 0.00 -1.26 -5.06 121.76 113.29 1frf s ALA 51 Ca -0.13 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 1frf s ALA 51 Cb 0.08 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 1frf s ALA 51 CO 0.78 -1.69 0.25 0.00 0.00 0.00 0.00 175.76 175.10 1frf s ALA 52 N -2.56 1.08 0.00 0.00 0.00 -1.26 -4.59 121.76 114.43 1frf s ALA 52 Ca 0.65 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1frf s ALA 52 Cb -0.20 1.34 0.00 0.00 0.00 0.00 0.00 23.12 24.26 1frf s ALA 52 CO 0.49 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1frf n GLY 53 N -0.40 2.47 0.36 0.00 0.00 -1.26 -2.53 105.19 103.83 1frf n GLY 53 Ca 0.03 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.82 1frf n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1frf h GLU 54 N 0.00 0.50 -0.88 1.61 5.08 -1.99 -0.51 114.58 118.39 1frf h GLU 54 Ca 0.00 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1frf h GLU 54 Cb 0.00 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 1frf h GLU 54 CO 0.00 0.33 0.58 1.15 -1.00 0.00 0.00 179.01 180.07 1frf h THR 55 N 0.51 1.19 -0.22 1.13 2.02 -1.89 0.16 112.91 115.81 1frf h THR 55 Ca 0.32 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 1frf h THR 55 Cb 0.54 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1frf h THR 55 CO -0.10 0.21 -0.43 0.28 0.37 0.00 0.00 175.52 175.85 1frf h SER 56 N 1.14 0.58 1.40 4.18 0.02 -0.86 -1.24 113.55 118.76 1frf h SER 56 Ca 0.33 -0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1frf h SER 56 Cb -0.06 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1frf h SER 56 CO -0.09 0.93 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.76 1frf h GLU 57 N 0.44 0.00 -0.12 3.45 4.39 -1.22 -1.63 114.58 119.89 1frf h GLU 57 Ca 0.03 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1frf h GLU 57 Cb 0.93 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1frf h GLU 57 CO 0.08 0.44 -0.16 0.00 -1.16 0.00 0.00 179.01 178.21 1frf h ALA 58 N 1.56 0.18 -0.62 3.43 0.00 -0.51 -0.12 119.26 123.19 1frf h ALA 58 Ca -0.00 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.64 1frf h ALA 58 Cb 1.26 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1frf h ALA 58 CO 0.06 0.08 0.30 0.00 0.00 0.00 0.00 179.25 179.68 1frf h ALA 59 N 0.57 0.82 -0.01 0.00 0.00 -1.13 0.16 119.26 119.67 1frf h ALA 59 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1frf h ALA 59 Cb 0.71 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1frf h ALA 59 CO 0.04 -0.08 0.01 1.25 0.00 0.00 0.00 179.25 180.47 1frf h LEU 60 N 0.54 0.01 -0.05 0.00 5.85 -1.10 -1.49 115.31 119.06 1frf h LEU 60 Ca 0.29 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.03 1frf h LEU 60 Cb 0.27 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1frf h LEU 60 CO -0.23 0.03 -0.15 -0.74 -0.34 0.00 0.00 178.44 177.01 1frf h HIS 61 N -0.00 -0.39 -0.51 1.25 2.76 -0.04 -1.68 115.15 116.54 1frf h HIS 61 Ca 0.00 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.29 1frf h HIS 61 Cb 0.02 0.18 -0.09 0.00 1.55 0.00 0.00 27.41 29.07 1frf h HIS 61 CO -0.07 -0.22 -0.08 0.93 -1.30 0.00 0.00 177.93 177.19 1frf h GLU 62 N -0.22 0.04 -0.10 5.26 3.07 -0.53 -0.15 114.58 121.95 1frf h GLU 62 Ca 0.07 -0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.96 1frf h GLU 62 Cb 0.32 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 1frf h GLU 62 CO -0.19 0.03 -0.13 0.00 -1.40 0.00 0.00 179.01 177.32 1frf h ALA 63 N 1.49 -0.06 0.00 3.43 0.00 -0.44 0.58 119.26 124.25 1frf h ALA 63 Ca 0.25 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1frf h ALA 63 Cb 0.38 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1frf h ALA 63 CO -0.48 -0.59 -0.19 -0.07 0.00 0.00 0.00 179.25 177.91 1frf h LEU 64 N -0.17 0.00 -0.83 0.00 3.38 -0.97 -1.99 115.31 114.73 1frf h LEU 64 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1frf h LEU 64 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1frf h LEU 64 CO -0.20 0.19 -0.21 1.21 0.09 0.00 0.00 178.44 179.53 1frf n GLU 65 N -3.49 1.25 -1.51 1.13 4.07 -0.10 -4.98 120.64 117.01 1frf n GLU 65 Ca -0.01 -0.83 -0.59 0.00 -0.06 0.00 0.00 57.16 55.68 1frf n GLU 65 Cb 0.36 -1.48 -0.08 0.00 -0.06 0.00 0.00 31.44 30.18 1frf n GLU 65 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1frf n GLY 66 N 1.31 -0.23 0.56 8.31 0.00 0.13 -4.78 105.19 110.49 1frf n GLY 66 Ca 0.14 0.76 0.38 0.00 0.00 0.00 0.00 46.02 47.30 1frf n GLY 66 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1frf h LYS 67 N 3.11 0.01 -3.85 1.61 2.10 -1.89 -3.33 116.57 114.32 1frf h LYS 67 Ca -0.51 -0.00 -0.40 0.00 -2.00 0.00 0.00 60.65 57.74 1frf h LYS 67 Cb 1.42 -0.00 -0.35 0.00 -0.90 0.00 0.00 32.23 32.40 1frf h LYS 67 CO 0.66 0.00 -0.76 0.16 -2.00 0.00 0.00 179.45 177.51 1frf s ASP 68 N -4.94 1.02 0.00 7.07 3.84 -1.26 -5.14 116.67 117.25 1frf s ASP 68 Ca -0.05 -0.09 0.00 0.00 -0.00 0.00 0.00 52.55 52.41 1frf s ASP 68 Cb 0.24 -0.39 0.00 0.00 -1.38 0.00 0.00 42.92 41.38 1frf s ASP 68 CO 0.82 -0.11 0.00 0.61 -0.00 0.00 0.00 175.17 176.50 1frf n GLY 69 N 4.40 0.00 3.36 2.12 0.00 -1.25 -4.64 105.19 109.18 1frf n GLY 69 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1frf n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1frf s TYR 70 N 0.00 -0.33 -0.12 1.61 -0.85 -1.26 -4.48 117.35 111.92 1frf s TYR 70 Ca 0.00 0.11 -0.03 0.00 -0.52 0.00 0.00 57.07 56.63 1frf s TYR 70 Cb 0.00 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.66 1frf s TYR 70 CO 0.00 -0.73 0.01 0.71 -1.52 0.00 0.00 175.55 174.02 1frf s TYR 71 N -3.54 3.16 -0.27 -3.49 1.51 -0.14 0.66 117.35 115.24 1frf s TYR 71 Ca 0.01 0.09 -0.11 0.00 -1.01 0.00 0.00 57.07 56.05 1frf s TYR 71 Cb 0.01 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.93 1frf s TYR 71 CO -0.10 0.33 0.18 -1.17 -1.11 0.00 0.00 175.55 173.67 1frf s LEU 72 N -0.43 4.03 -0.24 -1.29 2.96 0.11 -0.71 118.68 123.11 1frf s LEU 72 Ca 0.08 0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.93 1frf s LEU 72 Cb -0.12 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1frf s LEU 72 CO 0.02 -0.03 0.05 -0.69 -1.32 0.00 0.00 176.35 174.38 1frf s VAL 73 N 1.63 4.14 -0.15 1.68 1.01 -0.38 0.08 120.40 128.40 1frf s VAL 73 Ca 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1frf s VAL 73 Cb -0.16 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1frf s VAL 73 CO 0.10 0.36 -0.08 -0.69 0.00 0.00 0.00 175.10 174.79 1frf s VAL 74 N 1.53 3.45 -0.08 2.92 1.01 -0.17 -0.60 120.40 128.46 1frf s VAL 74 Ca 0.06 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1frf s VAL 74 Cb -0.15 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1frf s VAL 74 CO 0.02 0.50 -0.24 -0.70 0.00 0.00 0.00 175.10 174.68 1frf s GLU 75 N 0.49 2.85 0.00 2.72 2.12 -0.39 -1.02 118.70 125.47 1frf s GLU 75 Ca -0.06 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.39 1frf s GLU 75 Cb -0.15 -2.26 0.00 0.00 0.26 0.00 0.00 34.13 31.98 1frf s GLU 75 CO 0.03 0.27 0.00 0.41 -0.54 0.00 0.00 175.26 175.44 1frf n GLY 76 N 3.26 -0.81 3.94 -1.50 0.00 -1.26 -0.83 105.19 108.00 1frf n GLY 76 Ca -0.18 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.02 1frf n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1frf s GLY 77 N -2.12 1.75 -0.24 -0.02 0.00 -0.11 -3.67 107.32 102.91 1frf s GLY 77 Ca 0.00 -1.25 -0.07 0.00 0.00 0.00 0.00 44.72 43.40 1frf s GLY 77 CO 0.00 -0.58 0.05 1.08 0.00 0.00 0.00 173.10 173.66 1frf s LEU 78 N -5.65 3.36 -0.44 0.66 1.43 -0.36 -0.66 118.68 117.03 1frf s LEU 78 Ca 0.70 -0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 53.30 1frf s LEU 78 Cb -0.05 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1frf s LEU 78 CO 0.50 -0.03 1.79 -2.84 0.23 0.00 0.00 176.35 176.00 1frf s PRO 79 N 1.56 3.10 -0.06 1.29 0.02 -1.26 -2.09 135.00 137.56 1frf s PRO 79 Ca 0.06 1.10 0.05 0.00 0.02 0.00 0.00 61.00 62.22 1frf s PRO 79 Cb -0.15 -4.25 -0.24 0.00 0.02 0.00 0.00 34.50 29.88 1frf s PRO 79 CO 0.03 -2.14 0.59 1.15 -0.33 0.00 0.00 177.00 176.29 1frf h THR 80 N 6.81 0.81 -3.76 0.99 2.02 -0.94 -3.33 112.91 115.51 1frf h THR 80 Ca -0.30 -2.60 -0.55 0.00 0.77 0.00 0.00 66.41 63.72 1frf h THR 80 Cb 1.16 2.48 0.18 0.00 -1.74 0.00 0.00 68.15 70.23 1frf h THR 80 CO 1.10 0.66 0.10 0.00 0.37 0.00 0.00 175.52 177.75 1frf n ILE 81 N -3.23 2.84 -3.90 3.11 3.06 0.55 -2.10 119.36 119.68 1frf n ILE 81 Ca -0.22 -0.38 -0.35 0.00 -2.50 0.00 0.00 62.75 59.31 1frf n ILE 81 Cb 1.05 -1.10 0.01 0.00 0.54 0.00 0.00 39.64 40.14 1frf n ILE 81 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1frf n ASP 82 N -1.63 -3.50 -2.00 9.51 8.00 -1.26 -1.28 116.55 124.41 1frf n ASP 82 Ca 0.13 -1.12 -0.18 0.00 0.71 0.00 0.00 54.79 54.33 1frf n ASP 82 Cb 0.49 -2.66 -0.04 0.00 -0.02 0.00 0.00 41.12 38.89 1frf n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1frf n GLY 83 N -1.94 0.55 2.23 0.44 0.00 -1.23 -1.27 105.19 103.98 1frf n GLY 83 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1frf n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1frf n GLY 84 N -0.66 0.78 0.09 -0.02 0.00 -0.40 -4.91 105.19 100.07 1frf n GLY 84 Ca -0.20 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.33 1frf n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1frf n GLN 85 N -2.51 0.46 0.00 1.61 6.02 -0.39 -3.55 117.38 119.01 1frf n GLN 85 Ca -0.09 -0.19 0.15 0.00 -0.01 0.00 0.00 57.00 56.87 1frf n GLN 85 Cb 0.36 -1.50 0.84 0.00 1.02 0.00 0.00 30.24 30.96 1frf n GLN 85 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1frf n TRP 86 N -1.10 0.00 -3.62 1.08 7.02 -1.26 -4.49 117.44 115.07 1frf n TRP 86 Ca 0.11 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.37 1frf n TRP 86 Cb 0.31 -0.11 -0.16 0.00 -2.42 0.00 0.00 31.31 28.92 1frf n TRP 86 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1frf s GLY 87 N -2.23 0.22 0.06 6.99 0.00 -1.23 -5.02 107.32 106.09 1frf s GLY 87 Ca 0.40 0.04 0.02 0.00 0.00 0.00 0.00 44.72 45.18 1frf s GLY 87 CO 0.41 1.70 -0.07 1.06 0.00 0.00 0.00 173.10 176.20 1frf s MET 88 N 2.20 0.60 -0.11 2.90 -1.94 -1.26 -2.05 119.30 119.64 1frf s MET 88 Ca 0.04 -0.91 -0.05 0.00 -1.71 0.00 0.00 55.69 53.05 1frf s MET 88 Cb -0.14 -0.23 0.05 0.00 2.01 0.00 0.00 34.83 36.52 1frf s MET 88 CO -0.07 0.02 0.24 0.54 -0.01 0.00 0.00 175.02 175.74 1frf s VAL 89 N -2.05 -0.14 -1.86 -6.03 0.11 0.20 -4.83 120.40 105.79 1frf s VAL 89 Ca -0.04 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 1frf s VAL 89 Cb -0.05 -0.39 0.00 0.00 -1.53 0.00 0.00 36.38 34.41 1frf s VAL 89 CO -0.01 0.08 0.00 0.00 -3.33 0.00 0.00 175.10 171.83 1frf n ALA 90 N 4.53 -0.50 -0.95 1.54 0.00 -1.26 -0.73 120.51 123.14 1frf n ALA 90 Ca -0.20 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1frf n ALA 90 Cb 0.52 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1frf n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1frf n GLY 91 N -0.73 0.47 3.31 0.00 0.00 -1.26 -5.04 105.19 101.94 1frf n GLY 91 Ca -0.22 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 1frf n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1frf s HIS 92 N -2.00 1.89 0.41 1.61 0.09 0.09 -5.11 115.29 112.28 1frf s HIS 92 Ca 0.00 -0.42 -0.24 0.00 -0.00 0.00 0.00 55.06 54.40 1frf s HIS 92 Cb 0.00 -1.02 -0.08 0.00 -0.00 0.00 0.00 32.58 31.48 1frf s HIS 92 CO 0.00 0.25 1.10 -2.14 -0.00 0.00 0.00 174.74 173.96 1frf s PRO 93 N -2.08 4.04 0.26 8.40 0.02 -1.26 -0.63 135.00 143.75 1frf s PRO 93 Ca 0.09 1.65 -0.03 0.00 0.02 0.00 0.00 61.00 62.73 1frf s PRO 93 Cb -0.09 -2.54 0.39 0.00 0.02 0.00 0.00 34.50 32.28 1frf s PRO 93 CO 0.05 -0.28 1.88 0.52 -0.33 0.00 0.00 177.00 178.84 1frf h MET 94 N 2.41 1.14 -0.09 5.54 2.86 -1.54 -2.64 114.93 122.61 1frf h MET 94 Ca -0.49 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.10 1frf h MET 94 Cb 1.23 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1frf h MET 94 CO 0.62 0.75 0.00 -0.84 1.06 0.00 0.00 176.91 178.50 1frf h ILE 95 N 1.17 0.94 -0.86 -1.22 -0.00 -1.84 -1.45 117.51 114.24 1frf h ILE 95 Ca 0.42 -0.01 0.14 0.00 -0.00 0.00 0.00 64.86 65.41 1frf h ILE 95 Cb 0.14 0.90 -0.09 0.00 -0.00 0.00 0.00 36.82 37.77 1frf h ILE 95 CO -0.17 0.01 0.46 -0.08 -0.00 0.00 0.00 178.15 178.37 1frf h GLU 96 N 0.03 0.65 0.00 0.16 4.81 -1.88 0.19 114.58 118.55 1frf h GLU 96 Ca 0.04 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1frf h GLU 96 Cb 0.05 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1frf h GLU 96 CO -0.07 0.43 -0.77 1.15 -0.73 0.00 0.00 179.01 179.02 1frf h THR 97 N 0.67 1.38 -0.07 0.32 2.02 -1.09 -2.26 112.91 113.88 1frf h THR 97 Ca 0.46 -2.81 -0.23 0.00 0.77 0.00 0.00 66.41 64.60 1frf h THR 97 Cb 0.62 2.59 0.01 0.00 -1.74 0.00 0.00 68.15 69.63 1frf h THR 97 CO -0.34 0.76 -0.88 0.00 0.37 0.00 0.00 175.52 175.43 1frf h LYS 99 N 0.39 -0.25 0.60 0.00 3.64 -0.92 0.29 116.57 120.32 1frf h LYS 99 Ca -0.08 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1frf h LYS 99 Cb 1.50 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.37 1frf h LYS 99 CO 0.17 -0.17 -0.49 -0.22 -2.27 0.00 0.00 179.45 176.47 1frf h LYS 100 N -0.26 -1.03 -0.63 1.90 3.64 -1.33 -2.39 116.57 116.47 1frf h LYS 100 Ca 0.15 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1frf h LYS 100 Cb 0.49 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1frf h LYS 100 CO -0.43 -0.69 0.40 0.00 -2.27 0.00 0.00 179.45 176.46 1frf h ALA 101 N -0.93 1.51 -0.07 5.00 0.00 -0.98 -2.11 119.26 121.70 1frf h ALA 101 Ca -0.08 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1frf h ALA 101 Cb 0.90 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1frf h ALA 101 CO -0.00 0.43 -0.51 0.00 0.00 0.00 0.00 179.25 179.18 1frf h ALA 102 N 1.58 1.02 -0.65 0.00 0.00 -0.36 -3.07 119.26 117.79 1frf h ALA 102 Ca 0.23 -0.47 0.09 0.00 0.00 0.00 0.00 54.91 54.75 1frf h ALA 102 Cb -0.06 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.53 1frf h ALA 102 CO -0.05 0.66 -0.47 0.00 0.00 0.00 0.00 179.25 179.39 1frf h ALA 103 N 1.33 -0.37 -0.44 0.00 0.00 -0.84 -2.42 119.26 116.52 1frf h ALA 103 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1frf h ALA 103 Cb 0.95 1.04 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1frf h ALA 103 CO 0.08 -0.86 0.00 1.63 0.00 0.00 0.00 179.25 180.10 1frf n LYS 104 N -5.39 2.52 -1.70 0.00 5.02 -1.25 -5.00 118.16 112.37 1frf n LYS 104 Ca 0.02 -2.21 -0.42 0.00 -2.02 0.00 0.00 58.31 53.68 1frf n LYS 104 Cb 0.34 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 1frf n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1frf n ALA 105 N 1.10 2.39 -0.16 7.82 0.00 -0.91 -4.66 120.51 126.09 1frf n ALA 105 Ca 0.17 0.33 0.05 0.00 0.00 0.00 0.00 53.44 53.98 1frf n ALA 105 Cb 0.51 -2.59 0.34 0.00 0.00 0.00 0.00 19.45 17.71 1frf n ALA 105 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1frf h LYS 106 N 8.27 0.76 -3.38 0.00 1.57 -0.11 -3.44 116.57 120.24 1frf h LYS 106 Ca -0.46 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.23 1frf h LYS 106 Cb 1.22 -0.17 -0.12 0.00 0.08 0.00 0.00 32.23 33.23 1frf h LYS 106 CO 0.95 0.50 -0.05 0.20 -0.57 0.00 0.00 179.45 180.49 1frf s GLY 107 N -3.54 -0.22 -0.13 3.86 0.00 -1.25 -5.02 107.32 101.03 1frf s GLY 107 Ca -0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 44.72 44.52 1frf s GLY 107 CO 0.77 -0.30 -0.10 -0.42 0.00 0.00 0.00 173.10 173.04 1frf s ILE 108 N -3.82 1.25 -0.20 0.90 1.01 -1.26 0.10 121.20 119.17 1frf s ILE 108 Ca 0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1frf s ILE 108 Cb 0.01 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.27 1frf s ILE 108 CO -0.09 0.40 -0.12 -0.63 0.00 0.00 0.00 174.94 174.50 1frf s ILE 109 N 1.60 2.65 -0.44 2.92 1.01 0.11 -2.38 121.20 126.67 1frf s ILE 109 Ca 0.05 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.71 1frf s ILE 109 Cb -0.13 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.18 1frf s ILE 109 CO -0.09 0.45 0.59 0.00 0.00 0.00 0.00 174.94 175.89 1frf s ILE 111 N 2.65 5.14 0.00 0.00 2.07 -0.19 -1.91 121.20 128.97 1frf s ILE 111 Ca 0.20 0.87 0.00 0.00 -1.41 0.00 0.00 60.65 60.31 1frf s ILE 111 Cb -0.15 -3.80 0.00 0.00 0.13 0.00 0.00 42.46 38.64 1frf s ILE 111 CO 0.17 0.22 0.00 0.61 -1.91 0.00 0.00 174.94 174.03 1frf n GLY 112 N 3.84 1.13 0.26 1.50 0.00 -0.33 -4.30 105.19 107.29 1frf n GLY 112 Ca -0.06 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.38 1frf n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1frf h THR 113 N 0.00 0.80 0.41 2.61 2.02 -1.16 -2.82 112.91 114.77 1frf h THR 113 Ca 0.00 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1frf h THR 113 Cb 0.00 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1frf h THR 113 CO 0.00 0.09 -0.20 0.00 0.37 0.00 0.00 175.52 175.79 1frf h SER 115 N -0.71 0.35 0.27 0.00 4.64 -1.62 0.82 113.55 117.30 1frf h SER 115 Ca -0.06 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1frf h SER 115 Cb 0.50 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1frf h SER 115 CO 0.09 0.56 -0.28 -0.65 -0.87 0.00 0.00 176.83 175.68 1frf h PRO 116 N 0.12 -0.56 0.00 4.77 0.12 -1.55 0.24 132.00 135.13 1frf h PRO 116 Ca 0.06 0.04 0.00 0.00 0.12 0.00 0.00 66.00 66.22 1frf h PRO 116 Cb 0.38 0.13 0.00 0.00 0.12 0.00 0.00 31.00 31.62 1frf h PRO 116 CO 0.01 -0.38 -0.09 0.66 0.12 0.00 0.00 178.00 178.33 1frf n TYR 117 N -5.40 0.00 0.00 0.65 4.01 -0.14 -4.34 117.16 111.94 1frf n TYR 117 Ca -0.09 -0.82 0.00 0.00 -0.16 0.00 0.00 57.90 56.83 1frf n TYR 117 Cb 0.31 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1frf n TYR 117 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1frf n GLY 118 N -1.18 2.91 7.00 2.72 0.00 0.28 -4.43 105.19 112.49 1frf n GLY 118 Ca 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1frf n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1frf n GLY 119 N 0.00 -1.27 0.22 -0.02 0.00 -1.13 -3.60 105.19 99.38 1frf n GLY 119 Ca 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 1frf n GLY 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1frf h VAL 120 N 0.00 1.31 0.00 1.61 3.04 -1.92 -3.06 116.25 117.24 1frf h VAL 120 Ca 0.00 -1.83 -0.01 0.00 -1.01 0.00 0.00 66.70 63.85 1frf h VAL 120 Cb 0.00 1.79 -0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1frf h VAL 120 CO 0.00 0.57 -0.06 0.06 -1.01 0.00 0.00 177.57 177.13 1frf h GLN 121 N 0.47 0.00 -0.00 4.17 -0.00 -1.94 -0.36 115.11 117.44 1frf h GLN 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1frf h GLN 121 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.63 1frf h GLN 121 CO 0.11 0.06 -0.31 1.17 -0.00 0.00 0.00 178.83 179.86 1frf n LYS 122 N -3.39 0.04 -1.86 0.06 4.81 -1.16 -4.41 118.16 112.25 1frf n LYS 122 Ca -0.02 -0.02 -0.37 0.00 -0.87 0.00 0.00 58.31 57.04 1frf n LYS 122 Cb 0.21 -1.50 0.05 0.00 0.02 0.00 0.00 35.03 33.81 1frf n LYS 122 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1frf s ALA 123 N -2.97 2.54 0.39 3.14 0.00 -0.15 -4.36 121.76 120.36 1frf s ALA 123 Ca 0.13 1.17 -0.27 0.00 0.00 0.00 0.00 51.96 52.98 1frf s ALA 123 Cb 0.18 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 1frf s ALA 123 CO 0.63 -1.38 1.41 1.63 0.00 0.00 0.00 175.76 178.05 1frf n LYS 124 N -1.57 2.37 -0.10 0.00 5.02 -1.26 0.23 118.16 122.85 1frf n LYS 124 Ca 0.14 0.83 0.03 0.00 -2.02 0.00 0.00 58.31 57.29 1frf n LYS 124 Cb 0.48 -2.55 0.09 0.00 -0.02 0.00 0.00 35.03 33.03 1frf n LYS 124 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1frf n PRO 125 N 0.27 1.45 -3.47 1.97 -0.04 -1.26 -5.01 135.00 128.92 1frf n PRO 125 Ca 0.03 -0.70 -0.23 0.00 -0.04 0.00 0.00 63.50 62.56 1frf n PRO 125 Cb 0.39 -1.15 0.05 0.00 -0.04 0.00 0.00 33.50 32.75 1frf n PRO 125 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1frf n ASN 126 N 0.07 -6.02 -0.16 3.54 4.05 0.14 -4.91 115.26 111.96 1frf n ASN 126 Ca 0.07 -0.83 0.15 0.00 0.45 0.00 0.00 54.58 54.42 1frf n ASN 126 Cb 0.17 -4.18 0.50 0.00 1.23 0.00 0.00 39.78 37.50 1frf n ASN 126 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1frf h PRO 127 N -1.38 0.40 -0.01 1.20 0.13 -1.83 -1.15 132.00 129.36 1frf h PRO 127 Ca -0.60 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1frf h PRO 127 Cb 1.32 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1frf h PRO 127 CO 0.45 0.27 -0.13 -1.13 -0.23 0.00 0.00 178.00 177.23 1frf n SER 128 N -4.48 0.95 -3.67 1.44 3.41 -1.26 -4.90 113.62 105.11 1frf n SER 128 Ca 0.14 -0.99 -0.23 0.00 -0.26 0.00 0.00 58.87 57.53 1frf n SER 128 Cb 0.53 0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.54 1frf n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1frf n GLN 129 N -0.51 -3.85 -1.95 4.33 6.02 -0.44 -0.33 117.38 120.65 1frf n GLN 129 Ca 0.16 0.60 -0.31 0.00 -0.01 0.00 0.00 57.00 57.43 1frf n GLN 129 Cb 0.32 -5.00 0.00 0.00 1.02 0.00 0.00 30.24 26.58 1frf n GLN 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1frf s ALA 130 N -3.63 3.06 0.20 -1.58 0.00 -1.26 -1.97 121.76 116.59 1frf s ALA 130 Ca 0.13 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 51.93 1frf s ALA 130 Cb -0.04 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.00 1frf s ALA 130 CO 0.82 -0.64 0.45 -1.59 0.00 0.00 0.00 175.76 174.80 1frf s LYS 131 N -4.95 1.36 0.83 0.00 -2.85 -0.89 -4.72 119.74 108.52 1frf s LYS 131 Ca 0.56 -1.04 -0.11 0.00 -1.00 0.00 0.00 55.97 54.39 1frf s LYS 131 Cb -0.11 0.47 0.09 0.00 -2.06 0.00 0.00 37.83 36.22 1frf s LYS 131 CO 0.50 -0.56 1.10 0.20 0.10 0.00 0.00 175.35 176.69 1frf s GLY 132 N -2.93 1.66 0.20 0.59 0.00 -1.26 -1.22 107.32 104.36 1frf s GLY 132 Ca 0.14 0.25 -0.11 0.00 0.00 0.00 0.00 44.72 45.00 1frf s GLY 132 CO 0.01 0.64 1.85 -2.08 0.00 0.00 0.00 173.10 173.52 1frf h VAL 133 N -1.35 1.19 0.26 1.40 2.07 -0.72 0.36 116.25 119.46 1frf h VAL 133 Ca -0.45 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1frf h VAL 133 Cb 1.25 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1frf h VAL 133 CO 0.50 0.19 -0.13 -1.28 0.02 0.00 0.00 177.57 176.87 1frf h SER 134 N 0.93 -0.32 -0.95 0.57 0.87 -1.78 0.28 113.55 113.15 1frf h SER 134 Ca 0.25 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1frf h SER 134 Cb -0.06 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 61.93 1frf h SER 134 CO -0.05 -0.22 0.63 -0.08 -0.53 0.00 0.00 176.83 176.58 1frf h GLU 135 N -0.36 1.23 0.24 2.24 4.81 -1.80 0.56 114.58 121.50 1frf h GLU 135 Ca -0.03 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1frf h GLU 135 Cb 0.28 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1frf h GLU 135 CO 0.05 0.81 -0.11 0.00 -0.73 0.00 0.00 179.01 179.03 1frf h ALA 136 N 1.36 -0.32 0.11 2.92 0.00 -0.74 -3.35 119.26 119.24 1frf h ALA 136 Ca 0.36 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.79 1frf h ALA 136 Cb -0.11 0.12 0.03 0.00 0.00 0.00 0.00 17.79 17.83 1frf h ALA 136 CO -0.09 -0.49 -1.21 -0.07 0.00 0.00 0.00 179.25 177.39 1frf h LEU 137 N -0.71 0.82 -0.28 0.00 3.38 -0.39 -3.48 115.31 114.65 1frf h LEU 137 Ca -0.03 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1frf h LEU 137 Cb 0.49 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1frf h LEU 137 CO 0.05 1.56 0.00 0.61 0.09 0.00 0.00 178.44 180.75 1frf n GLY 138 N 1.34 1.03 3.18 0.83 0.00 0.20 -5.07 105.19 106.69 1frf n GLY 138 Ca -0.13 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 1frf n GLY 138 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1frf s VAL 139 N -2.28 1.07 0.17 1.61 -7.23 -1.21 -5.07 120.40 107.46 1frf s VAL 139 Ca 0.00 -1.50 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 1frf s VAL 139 Cb 0.00 -1.24 -0.08 0.00 0.56 0.00 0.00 36.38 35.62 1frf s VAL 139 CO 0.00 -0.39 1.16 -0.75 -0.31 0.00 0.00 175.10 174.81 1frf s LYS 140 N -2.30 4.52 0.12 4.82 2.20 -1.26 -4.50 119.74 123.34 1frf s LYS 140 Ca 0.02 1.81 0.06 0.00 -0.36 0.00 0.00 55.97 57.50 1frf s LYS 140 Cb -0.06 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1frf s LYS 140 CO 0.02 -0.05 -0.13 0.95 -0.36 0.00 0.00 175.35 175.77 1frf s THR 141 N -0.02 1.29 -0.61 3.43 -4.23 -1.26 -4.89 115.64 109.35 1frf s THR 141 Ca 0.52 -1.74 -0.22 0.00 -1.18 0.00 0.00 61.69 59.07 1frf s THR 141 Cb -0.31 -1.54 0.07 0.00 1.34 0.00 0.00 72.50 72.05 1frf s THR 141 CO 0.35 -0.45 0.89 -0.63 -0.54 0.00 0.00 174.62 174.25 1frf s ILE 142 N -2.25 4.45 -0.07 2.99 1.01 -1.00 -4.77 121.20 121.56 1frf s ILE 142 Ca 0.09 -0.33 -0.26 0.00 0.00 0.00 0.00 60.65 60.16 1frf s ILE 142 Cb -0.04 -4.59 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 1frf s ILE 142 CO 0.03 -1.29 0.81 0.20 0.00 0.00 0.00 174.94 174.69 1frf s ASN 143 N 3.41 7.09 -0.63 3.58 0.01 0.16 -2.13 114.94 126.44 1frf s ASN 143 Ca 0.22 1.32 0.06 0.00 -0.71 0.00 0.00 52.86 53.75 1frf s ASN 143 Cb -0.17 -2.47 0.26 0.00 0.41 0.00 0.00 41.25 39.28 1frf s ASN 143 CO 0.12 -0.22 0.76 -0.38 -1.51 0.00 0.00 177.10 175.87 1frf n ILE 144 N 4.01 2.33 -0.91 0.60 2.08 -0.80 -3.74 119.36 122.93 1frf n ILE 144 Ca 0.02 -5.22 -0.29 0.00 0.56 0.00 0.00 62.75 57.82 1frf n ILE 144 Cb 0.51 -2.03 0.22 0.00 -0.75 0.00 0.00 39.64 37.59 1frf n ILE 144 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1frf s PRO 145 N -2.53 -0.68 0.00 0.38 0.04 -1.26 -1.18 135.00 129.76 1frf s PRO 145 Ca 0.41 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1frf s PRO 145 Cb 0.16 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 33.09 1frf s PRO 145 CO -0.02 -3.46 0.00 0.41 0.04 0.00 0.00 177.00 173.97 1frf n GLY 146 N -0.31 4.19 2.45 0.56 0.00 -1.24 -4.18 105.19 106.65 1frf n GLY 146 Ca 0.07 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.29 1frf n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1frf s PRO 148 N -2.37 2.30 0.76 0.00 0.04 -1.26 -5.09 135.00 129.37 1frf s PRO 148 Ca 0.41 -1.12 -0.11 0.00 0.04 0.00 0.00 61.00 60.22 1frf s PRO 148 Cb 0.21 -2.52 0.05 0.00 0.04 0.00 0.00 34.50 32.27 1frf s PRO 148 CO -0.07 -0.87 1.08 -1.25 0.04 0.00 0.00 177.00 175.93 1frf s PRO 149 N -4.78 2.41 0.08 0.56 0.04 -1.23 -4.99 135.00 127.09 1frf s PRO 149 Ca 0.60 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 1frf s PRO 149 Cb -0.08 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1frf s PRO 149 CO 0.39 -1.48 1.17 1.21 0.04 0.00 0.00 177.00 178.34 1frf s ASN 150 N -3.64 7.12 0.31 6.66 2.47 -1.26 -4.85 114.94 121.75 1frf s ASN 150 Ca 0.60 2.02 0.06 0.00 0.42 0.00 0.00 52.86 55.96 1frf s ASN 150 Cb -0.16 -2.58 0.73 0.00 -1.45 0.00 0.00 41.25 37.79 1frf s ASN 150 CO 0.55 -0.42 1.80 1.55 -3.72 0.00 0.00 177.10 176.87 1frf h PRO 151 N 6.48 0.76 -1.05 0.43 0.13 -1.92 0.24 132.00 137.08 1frf h PRO 151 Ca -0.42 -0.05 0.29 0.00 -0.87 0.00 0.00 66.00 64.95 1frf h PRO 151 Cb 1.21 -0.17 -0.12 0.00 0.13 0.00 0.00 31.00 32.05 1frf h PRO 151 CO 0.79 0.51 0.64 0.82 -0.23 0.00 0.00 178.00 180.52 1frf h ILE 152 N 0.79 0.43 0.15 -3.56 2.04 -1.90 0.15 117.51 115.60 1frf h ILE 152 Ca 0.55 -0.14 -0.29 0.00 1.00 0.00 0.00 64.86 65.97 1frf h ILE 152 Cb 0.82 -0.02 0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1frf h ILE 152 CO -0.33 0.08 -1.23 0.78 0.00 0.00 0.00 178.15 177.44 1frf h ASN 153 N 0.41 0.82 0.45 1.72 4.21 -0.92 -2.43 115.58 119.86 1frf h ASN 153 Ca 0.67 -0.86 -0.02 0.00 1.21 0.00 0.00 56.30 57.30 1frf h ASN 153 Cb 1.56 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 1frf h ASN 153 CO -0.45 1.60 -0.22 0.15 -1.29 0.00 0.00 177.43 177.22 1frf h PHE 154 N 0.17 -0.56 -0.86 1.19 3.57 -0.41 -0.31 116.94 119.72 1frf h PHE 154 Ca -0.20 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.42 1frf h PHE 154 Cb 1.92 0.19 -0.09 0.00 2.79 0.00 0.00 35.95 40.76 1frf h PHE 154 CO 0.13 -0.35 0.46 0.28 -2.23 0.00 0.00 178.31 176.60 1frf h VAL 155 N -0.88 0.78 0.12 1.41 2.07 -0.99 0.18 116.25 118.94 1frf h VAL 155 Ca -0.06 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1frf h VAL 155 Cb 0.47 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1frf h VAL 155 CO 0.10 0.13 -0.38 1.23 0.02 0.00 0.00 177.57 178.67 1frf h GLY 156 N 0.69 -0.74 1.02 2.17 0.00 -1.43 0.14 103.07 104.91 1frf h GLY 156 Ca 0.45 0.45 -0.02 0.00 0.00 0.00 0.00 47.33 48.21 1frf h GLY 156 CO -0.33 -0.26 0.42 0.00 0.00 0.00 0.00 176.54 176.36 1frf h ALA 157 N -0.06 1.02 0.57 3.60 0.00 0.13 -0.45 119.26 124.08 1frf h ALA 157 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1frf h ALA 157 Cb 0.64 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1frf h ALA 157 CO -0.22 0.56 -0.41 0.28 0.00 0.00 0.00 179.25 179.45 1frf h VAL 158 N 1.11 0.00 -0.01 0.00 2.07 -0.17 0.10 116.25 119.35 1frf h VAL 158 Ca 0.28 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.83 1frf h VAL 158 Cb 0.07 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.78 1frf h VAL 158 CO -0.04 0.00 -0.40 0.58 0.02 0.00 0.00 177.57 177.73 1frf h VAL 159 N -0.94 0.17 -0.90 2.57 2.07 -0.88 -0.49 116.25 117.86 1frf h VAL 159 Ca -0.08 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.62 1frf h VAL 159 Cb 0.77 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 1frf h VAL 159 CO 0.04 0.00 0.58 -0.74 0.02 0.00 0.00 177.57 177.47 1frf h HIS 160 N -0.55 0.69 0.00 1.57 6.17 -1.00 0.41 115.15 122.44 1frf h HIS 160 Ca 0.05 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.07 1frf h HIS 160 Cb 0.64 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 30.34 1frf h HIS 160 CO -0.42 0.21 -0.37 0.28 0.71 0.00 0.00 177.93 178.34 1frf h VAL 161 N 0.54 0.88 0.01 5.26 2.07 0.74 -1.30 116.25 124.45 1frf h VAL 161 Ca 0.47 -1.51 -0.26 0.00 0.82 0.00 0.00 66.70 66.22 1frf h VAL 161 Cb 0.97 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 1frf h VAL 161 CO -0.20 0.36 -1.40 -0.07 0.02 0.00 0.00 177.57 176.28 1frf h LEU 162 N 0.00 0.05 -7.48 2.57 4.07 0.61 -3.34 115.31 111.78 1frf h LEU 162 Ca -0.00 -0.07 -0.53 0.00 0.08 0.00 0.00 57.88 57.35 1frf h LEU 162 Cb 0.89 -0.02 -0.39 0.00 1.08 0.00 0.00 40.66 42.23 1frf h LEU 162 CO 0.05 1.06 -0.78 0.42 -1.08 0.00 0.00 178.44 178.11 1frf s THR 163 N -2.65 0.87 0.00 0.22 -4.23 0.11 -4.70 115.64 105.27 1frf s THR 163 Ca -0.03 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1frf s THR 163 Cb 0.09 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.75 1frf s THR 163 CO 0.83 -0.01 0.00 0.29 -0.54 0.00 0.00 174.62 175.19 1frf n LYS 164 N 4.94 0.00 0.00 3.99 5.02 -1.23 -4.18 118.16 126.70 1frf n LYS 164 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1frf n LYS 164 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 1frf n LYS 164 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1frf n GLY 165 N 0.00 -1.58 3.68 0.72 0.00 -0.51 -4.97 105.19 102.52 1frf n GLY 165 Ca 0.00 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 1frf n GLY 165 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1frf n ILE 166 N 0.00 0.56 -1.60 -0.61 2.08 -1.26 -3.71 119.36 114.82 1frf n ILE 166 Ca 0.00 -0.10 -0.30 0.00 0.56 0.00 0.00 62.75 62.91 1frf n ILE 166 Cb 0.00 -2.16 0.10 0.00 -0.75 0.00 0.00 39.64 36.83 1frf n ILE 166 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1frf s PRO 167 N 3.60 1.87 -0.09 0.38 0.04 -1.26 -4.97 135.00 134.57 1frf s PRO 167 Ca 0.86 0.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 1frf s PRO 167 Cb -0.49 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 1frf s PRO 167 CO 0.41 -1.74 1.93 -0.51 0.04 0.00 0.00 177.00 177.13 1frf s ASP 168 N -4.02 6.21 0.03 6.66 1.01 -1.26 -4.94 116.67 120.36 1frf s ASP 168 Ca 0.61 2.22 0.00 0.00 0.71 0.00 0.00 52.55 56.10 1frf s ASP 168 Cb -0.14 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 1frf s ASP 168 CO 0.53 -1.31 0.11 -0.76 0.21 0.00 0.00 175.17 173.95 1frf s LEU 169 N 5.54 3.97 0.00 1.23 1.02 -1.26 0.10 118.68 129.28 1frf s LEU 169 Ca 0.86 0.13 0.00 0.00 0.02 0.00 0.00 54.13 55.15 1frf s LEU 169 Cb -0.36 -2.46 0.00 0.00 0.02 0.00 0.00 46.19 43.39 1frf s LEU 169 CO 0.36 0.23 0.00 -0.90 0.02 0.00 0.00 176.35 176.06 1frf n ASP 170 N 0.82 0.00 0.28 2.29 5.68 -0.19 -4.79 116.55 120.65 1frf n ASP 170 Ca -0.10 -0.98 0.14 0.00 -0.50 0.00 0.00 54.79 53.35 1frf n ASP 170 Cb 0.52 0.00 0.84 0.00 -1.14 0.00 0.00 41.12 41.34 1frf n ASP 170 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1frf h GLU 171 N 0.00 0.00 -0.62 0.11 3.07 -1.99 -1.67 114.58 113.47 1frf h GLU 171 Ca 0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.64 1frf h GLU 171 Cb 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.78 1frf h GLU 171 CO 0.00 0.03 0.21 0.09 -1.40 0.00 0.00 179.01 177.94 1frf n ASN 172 N -3.87 4.06 -0.05 1.42 4.13 -1.26 -4.96 115.26 114.73 1frf n ASN 172 Ca -0.03 -3.36 -0.01 0.00 1.68 0.00 0.00 54.58 52.87 1frf n ASN 172 Cb 0.12 -0.70 -0.00 0.00 -1.54 0.00 0.00 39.78 37.65 1frf n ASN 172 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1frf n GLY 173 N -0.55 0.31 3.75 7.41 0.00 -0.63 -4.68 105.19 110.80 1frf n GLY 173 Ca 0.39 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 1frf n GLY 173 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1frf s ARG 174 N -1.12 4.33 -0.02 1.61 0.52 -1.25 -0.66 118.95 122.36 1frf s ARG 174 Ca 0.00 0.69 -0.32 0.00 -0.52 0.00 0.00 55.73 55.58 1frf s ARG 174 Cb 0.00 -3.37 -0.10 0.00 0.52 0.00 0.00 34.95 32.00 1frf s ARG 174 CO 0.00 0.30 1.92 -2.30 0.02 0.00 0.00 175.30 175.24 1frf n PRO 175 N 3.02 2.52 -0.03 3.54 -0.02 -1.25 -1.02 135.00 141.77 1frf n PRO 175 Ca -0.06 0.92 0.22 0.00 -2.02 0.00 0.00 63.50 62.56 1frf n PRO 175 Cb 0.51 -2.82 0.70 0.00 -0.02 0.00 0.00 33.50 31.87 1frf n PRO 175 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1frf h LYS 176 N 9.81 0.00 -0.97 -0.52 1.57 -0.65 -1.50 116.57 124.31 1frf h LYS 176 Ca -0.49 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.49 1frf h LYS 176 Cb 1.26 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.45 1frf h LYS 176 CO 0.94 0.00 0.56 1.25 -0.57 0.00 0.00 179.45 181.64 1frf h LEU 177 N 0.00 0.68 0.00 2.94 5.85 -1.87 -1.83 115.31 121.08 1frf h LEU 177 Ca 0.28 0.11 -0.26 0.00 0.84 0.00 0.00 57.88 58.86 1frf h LEU 177 Cb 1.15 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1frf h LEU 177 CO -0.00 0.19 -1.98 0.49 -0.34 0.00 0.00 178.44 176.79 1frf n PHE 178 N -4.84 0.00 -1.15 1.25 3.01 -0.90 -4.60 117.46 110.23 1frf n PHE 178 Ca 0.24 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.43 1frf n PHE 178 Cb 0.61 -0.67 0.13 0.00 -0.01 0.00 0.00 39.48 39.55 1frf n PHE 178 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1frf n TYR 179 N -2.99 2.91 -0.02 1.38 4.02 -0.62 -3.20 117.16 118.64 1frf n TYR 179 Ca -0.30 -2.22 -0.03 0.00 -0.01 0.00 0.00 57.90 55.34 1frf n TYR 179 Cb 0.83 -1.10 -0.12 0.00 -0.02 0.00 0.00 39.34 38.92 1frf n TYR 179 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1frf n GLY 180 N -0.90 -1.08 3.36 2.72 0.00 -0.69 -4.72 105.19 103.88 1frf n GLY 180 Ca 0.57 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 46.06 1frf n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1frf s GLU 181 N -2.83 1.95 0.36 1.61 2.02 -1.26 -5.02 118.70 115.52 1frf s GLU 181 Ca -0.06 -1.03 -0.28 0.00 0.02 0.00 0.00 54.97 53.62 1frf s GLU 181 Cb 0.08 -2.04 -0.10 0.00 0.10 0.00 0.00 34.13 32.18 1frf s GLU 181 CO 0.83 0.53 1.32 -0.51 0.02 0.00 0.00 175.26 177.45 1frf s LEU 182 N -1.08 4.35 0.18 1.80 1.43 -1.26 -2.34 118.68 121.75 1frf s LEU 182 Ca 0.12 2.70 -0.14 0.00 -1.03 0.00 0.00 54.13 55.78 1frf s LEU 182 Cb -0.10 -3.74 0.15 0.00 0.03 0.00 0.00 46.19 42.53 1frf s LEU 182 CO 0.02 -0.66 1.72 0.58 0.23 0.00 0.00 176.35 178.23 1frf h VAL 183 N 2.84 0.75 -0.48 -1.59 2.07 -0.79 -1.24 116.25 117.81 1frf h VAL 183 Ca -0.49 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.03 1frf h VAL 183 Cb 1.23 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1frf h VAL 183 CO 0.64 0.04 0.32 -0.74 0.02 0.00 0.00 177.57 177.85 1frf h HIS 184 N 0.21 0.36 0.00 1.57 6.17 -1.38 -0.72 115.15 121.35 1frf h HIS 184 Ca 0.22 0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.26 1frf h HIS 184 Cb 0.29 -0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.09 1frf h HIS 184 CO -0.22 0.19 -0.23 -0.44 0.71 0.00 0.00 177.93 177.93 1frf h ASP 185 N 0.35 0.00 -0.01 3.26 3.45 -1.49 -2.78 116.42 119.20 1frf h ASP 185 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 1frf h ASP 185 Cb 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.16 1frf h ASP 185 CO -0.05 0.23 -0.13 0.59 -1.57 0.00 0.00 179.24 178.32 1frf n ASN 186 N -3.73 1.84 -4.68 6.45 3.02 -0.46 -4.98 115.26 112.72 1frf n ASN 186 Ca -0.01 -1.42 -0.42 0.00 -0.03 0.00 0.00 54.58 52.69 1frf n ASN 186 Cb 0.34 0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.70 1frf n ASN 186 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1frf n PRO 188 N 6.25 0.26 -0.04 0.00 -0.04 -1.26 -1.83 135.00 138.35 1frf n PRO 188 Ca 0.16 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.68 1frf n PRO 188 Cb 0.42 -1.18 0.07 0.00 -0.04 0.00 0.00 33.50 32.77 1frf n PRO 188 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1frf n ARG 189 N -0.68 1.10 -0.30 0.54 1.74 -1.26 -4.66 116.66 113.14 1frf n ARG 189 Ca 0.02 -1.39 0.10 0.00 -0.77 0.00 0.00 57.85 55.81 1frf n ARG 189 Cb 0.01 -1.24 0.26 0.00 -1.02 0.00 0.00 32.46 30.47 1frf n ARG 189 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1frf h LEU 190 N 2.34 0.42 -1.99 0.55 5.85 -1.64 0.67 115.31 121.50 1frf h LEU 190 Ca 0.00 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.90 1frf h LEU 190 Cb 0.55 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1frf h LEU 190 CO 0.00 0.11 0.16 1.55 -0.34 0.00 0.00 178.44 179.92 1frf h PRO 191 N 0.51 0.01 -0.02 5.25 0.13 -1.85 -0.00 132.00 136.03 1frf h PRO 191 Ca 0.51 -0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.39 1frf h PRO 191 Cb 0.85 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.99 1frf h PRO 191 CO -0.44 0.01 -0.97 0.45 -0.23 0.00 0.00 178.00 176.81 1frf h HIS 192 N 0.02 0.92 -0.55 1.56 3.86 -1.18 -0.85 115.15 118.94 1frf h HIS 192 Ca 0.11 -0.49 -0.05 0.00 -1.16 0.00 0.00 60.37 58.78 1frf h HIS 192 Cb 0.41 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 1frf h HIS 192 CO -0.00 1.32 0.14 0.35 0.86 0.00 0.00 177.93 180.60 1frf h PHE 193 N 0.37 0.85 -0.01 2.45 3.57 -0.82 0.19 116.94 123.54 1frf h PHE 193 Ca -0.10 -0.07 -0.25 0.00 3.53 0.00 0.00 57.97 61.07 1frf h PHE 193 Cb 1.62 -0.25 0.02 0.00 2.79 0.00 0.00 35.95 40.13 1frf h PHE 193 CO 0.09 0.71 -0.97 0.93 -2.23 0.00 0.00 178.31 176.84 1frf h GLU 194 N 0.80 0.67 0.00 1.11 5.08 -1.02 -3.18 114.58 118.05 1frf h GLU 194 Ca 0.18 -0.71 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1frf h GLU 194 Cb 0.28 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1frf h GLU 194 CO -0.00 1.29 0.00 0.00 -1.00 0.00 0.00 179.01 179.30 1frf n ALA 195 N -2.64 2.35 -2.94 3.43 0.00 -0.33 -4.85 120.51 115.52 1frf n ALA 195 Ca -0.11 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 52.99 1frf n ALA 195 Cb 0.84 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.97 1frf n ALA 195 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1frf n SER 196 N -0.99 -5.73 -4.25 0.00 7.64 -0.46 -4.97 113.62 104.87 1frf n SER 196 Ca 0.17 -0.26 -0.43 0.00 1.01 0.00 0.00 58.87 59.36 1frf n SER 196 Cb 0.08 -4.56 -0.06 0.00 -1.01 0.00 0.00 64.21 58.66 1frf n SER 196 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1frf s GLU 197 N -5.58 2.90 0.09 1.43 2.02 0.54 -5.03 118.70 115.07 1frf s GLU 197 Ca 0.27 -2.03 0.06 0.00 0.02 0.00 0.00 54.97 53.29 1frf s GLU 197 Cb -0.12 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 29.95 1frf s GLU 197 CO 0.34 -1.25 -0.05 -0.06 0.02 0.00 0.00 175.26 174.26 1frf s PHE 198 N 0.93 2.88 -0.19 1.61 0.08 -1.26 -1.97 117.98 120.05 1frf s PHE 198 Ca 0.10 -0.08 -0.20 0.00 0.12 0.00 0.00 56.93 56.86 1frf s PHE 198 Cb -0.22 -1.49 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 1frf s PHE 198 CO -0.02 0.45 0.60 0.00 -0.10 0.00 0.00 175.22 176.15 1frf s ALA 199 N -1.26 3.53 -0.33 5.36 0.00 -0.34 -4.85 121.76 123.87 1frf s ALA 199 Ca 0.24 -0.28 0.23 0.00 0.00 0.00 0.00 51.96 52.14 1frf s ALA 199 Cb -0.11 -2.92 0.14 0.00 0.00 0.00 0.00 23.12 20.23 1frf s ALA 199 CO 0.16 -0.48 1.26 -1.00 0.00 0.00 0.00 175.76 175.70 1frf h PRO 200 N 7.41 0.00 -2.82 0.00 0.13 -1.95 -3.37 132.00 131.40 1frf h PRO 200 Ca -0.33 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.84 1frf h PRO 200 Cb 1.15 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.17 1frf h PRO 200 CO 0.76 0.00 0.29 -1.54 -0.23 0.00 0.00 178.00 177.28 1frf s SER 201 N -5.59 -0.45 0.00 1.44 1.04 -1.26 -4.94 113.70 103.95 1frf s SER 201 Ca 0.03 -0.14 0.29 0.00 0.48 0.00 0.00 55.95 56.61 1frf s SER 201 Cb 0.08 0.57 1.23 0.00 0.10 0.00 0.00 66.02 68.01 1frf s SER 201 CO 0.74 -0.97 1.92 0.49 0.98 0.00 0.00 173.24 176.41 1frf n PHE 202 N -0.37 0.01 0.73 5.02 3.72 -1.26 -3.00 117.46 122.30 1frf n PHE 202 Ca -0.12 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.38 1frf n PHE 202 Cb 0.63 -0.50 -0.13 0.00 -0.94 0.00 0.00 39.48 38.54 1frf n PHE 202 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1frf n ASP 203 N -1.50 0.74 -4.80 4.37 5.75 -1.26 -4.72 116.55 115.12 1frf n ASP 203 Ca 0.07 -0.73 -0.31 0.00 -0.01 0.00 0.00 54.79 53.81 1frf n ASP 203 Cb 0.34 1.25 0.07 0.00 -1.03 0.00 0.00 41.12 41.76 1frf n ASP 203 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1frf s SER 204 N -3.40 4.92 0.32 -1.12 1.04 -1.16 -4.92 113.70 109.38 1frf s SER 204 Ca 0.04 1.66 0.03 0.00 0.48 0.00 0.00 55.95 58.15 1frf s SER 204 Cb 0.15 -2.45 0.55 0.00 0.10 0.00 0.00 66.02 64.37 1frf s SER 204 CO 0.88 -1.74 1.87 -0.33 0.98 0.00 0.00 173.24 174.90 1frf h GLU 205 N -0.93 0.64 -0.76 4.02 4.39 -1.94 -2.24 114.58 117.76 1frf h GLU 205 Ca -0.44 -0.12 0.03 0.00 0.34 0.00 0.00 59.36 59.16 1frf h GLU 205 Cb 1.23 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.73 1frf h GLU 205 CO 0.55 0.61 0.49 0.93 -1.16 0.00 0.00 179.01 180.43 1frf h GLU 206 N 0.62 0.93 -0.53 2.33 3.07 -1.90 0.18 114.58 119.29 1frf h GLU 206 Ca 0.14 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.85 1frf h GLU 206 Cb 0.28 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 1frf h GLU 206 CO 0.00 0.62 -0.03 0.00 -1.40 0.00 0.00 179.01 178.20 1frf h ALA 207 N 1.31 0.95 0.00 3.43 0.00 -1.59 -0.15 119.26 123.21 1frf h ALA 207 Ca 0.30 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1frf h ALA 207 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1frf h ALA 207 CO -0.10 0.63 -0.31 0.87 0.00 0.00 0.00 179.25 180.34 1frf h LYS 208 N 0.84 0.00 -0.00 0.00 1.57 -0.90 -2.58 116.57 115.51 1frf h LYS 208 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1frf h LYS 208 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1frf h LYS 208 CO 0.03 0.31 -0.16 1.63 -0.57 0.00 0.00 179.45 180.69 1frf n LYS 209 N -4.08 0.12 -0.80 3.15 5.02 0.55 -4.95 118.16 117.18 1frf n LYS 209 Ca -0.02 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1frf n LYS 209 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1frf n LYS 209 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1frf n GLY 210 N 1.46 0.79 3.71 0.72 0.00 -0.78 -5.06 105.19 106.03 1frf n GLY 210 Ca 0.08 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1frf n GLY 210 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1frf s PHE 211 N -2.00 2.02 0.61 1.61 2.99 -0.14 -4.94 117.98 118.13 1frf s PHE 211 Ca 0.00 1.67 -0.19 0.00 0.00 0.00 0.00 56.93 58.42 1frf s PHE 211 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 43.02 39.77 1frf s PHE 211 CO 0.00 -2.41 1.06 0.00 -0.00 0.00 0.00 175.22 173.87 1frf n LEU 213 N -1.02 5.10 -0.18 0.00 4.77 -1.26 -1.20 117.00 123.21 1frf n LEU 213 Ca 0.14 -3.32 -0.10 0.00 -0.03 0.00 0.00 56.01 52.70 1frf n LEU 213 Cb 0.47 -0.67 0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1frf n LEU 213 CO 0.49 0.89 0.80 0.22 -1.33 0.00 0.00 177.39 178.46 1frf h TYR 214 N 1.96 0.99 -0.17 -1.77 5.03 -1.88 -0.56 116.97 120.57 1frf h TYR 214 Ca 0.21 -0.17 -0.05 0.00 2.58 0.00 0.00 58.73 61.29 1frf h TYR 214 Cb 1.98 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 39.99 1frf h TYR 214 CO 1.04 0.92 -0.12 1.49 -1.32 0.00 0.00 178.16 180.17 1frf h GLU 215 N 0.77 0.27 -0.27 1.82 4.81 -1.81 -1.74 114.58 118.43 1frf h GLU 215 Ca 0.14 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1frf h GLU 215 Cb 0.53 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1frf h GLU 215 CO 0.03 0.40 0.00 1.28 -0.73 0.00 0.00 179.01 179.99 1frf n LEU 216 N -4.27 0.98 0.00 1.64 4.32 -0.99 -4.70 117.00 113.98 1frf n LEU 216 Ca -0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 56.01 55.49 1frf n LEU 216 Cb 0.27 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 1frf n LEU 216 CO 0.38 0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.38 1frf n GLY 217 N 0.64 0.85 3.68 -0.72 0.00 -0.65 -4.16 105.19 104.82 1frf n GLY 217 Ca 0.05 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1frf n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1frf n LYS 219 N 6.27 2.45 -0.19 0.00 4.76 -0.63 -4.36 118.16 126.46 1frf n LYS 219 Ca 0.17 -2.23 0.21 0.00 -2.87 0.00 0.00 58.31 53.58 1frf n LYS 219 Cb 0.41 -1.50 0.58 0.00 -1.84 0.00 0.00 35.03 32.69 1frf n LYS 219 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1frf h GLY 220 N 4.61 0.54 2.00 0.72 0.00 -1.90 0.73 103.07 109.77 1frf h GLY 220 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1frf h GLY 220 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 176.54 173.99 1frf h PRO 221 N 0.26 0.00 0.00 4.80 0.11 -1.94 -0.83 132.00 134.41 1frf h PRO 221 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1frf h PRO 221 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1frf h PRO 221 CO -0.11 0.00 -0.10 1.55 -0.21 0.00 0.00 178.00 179.14 1frf n VAL 222 N -2.84 0.87 -4.66 3.15 3.14 0.16 -4.91 118.33 113.24 1frf n VAL 222 Ca -0.01 -0.98 -0.34 0.00 -2.96 0.00 0.00 64.34 60.05 1frf n VAL 222 Cb 0.13 0.38 -0.12 0.00 -1.06 0.00 0.00 33.84 33.17 1frf n VAL 222 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1frf s THR 223 N -1.16 3.54 -0.32 1.55 2.01 -0.66 -5.01 115.64 115.58 1frf s THR 223 Ca 0.09 -0.53 -0.09 0.00 0.31 0.00 0.00 61.69 61.48 1frf s THR 223 Cb 0.08 -2.45 0.01 0.00 0.01 0.00 0.00 72.50 70.15 1frf s THR 223 CO 0.01 0.58 0.14 -0.31 -0.69 0.00 0.00 174.62 174.34 1frf s TYR 224 N -0.51 3.19 -0.19 4.92 2.02 -1.26 -0.48 117.35 125.04 1frf s TYR 224 Ca 0.07 -0.85 -0.35 0.00 -0.37 0.00 0.00 57.07 55.57 1frf s TYR 224 Cb -0.12 -2.33 0.14 0.00 -0.40 0.00 0.00 41.96 39.25 1frf s TYR 224 CO 0.02 -0.56 1.27 1.21 -1.57 0.00 0.00 175.55 175.92 1frf s ASN 225 N 1.55 -0.09 -0.35 2.29 3.04 -0.99 -4.79 114.94 115.60 1frf s ASN 225 Ca 0.03 -0.02 0.08 0.00 0.04 0.00 0.00 52.86 52.99 1frf s ASN 225 Cb -0.18 0.11 0.66 0.00 -1.54 0.00 0.00 41.25 40.31 1frf s ASN 225 CO 0.05 -0.18 1.75 -0.46 -3.04 0.00 0.00 177.10 175.22 1frf n ASN 226 N -0.14 4.00 -0.14 -4.21 2.04 -1.19 -3.88 115.26 111.74 1frf n ASN 226 Ca 0.00 -3.43 -0.08 0.00 -0.44 0.00 0.00 54.58 50.63 1frf n ASN 226 Cb 0.59 -0.74 0.00 0.00 -2.53 0.00 0.00 39.78 37.10 1frf n ASN 226 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1frf h PRO 228 N 0.57 0.45 -0.01 0.00 0.11 -1.88 0.34 132.00 131.58 1frf h PRO 228 Ca 0.15 -0.22 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 1frf h PRO 228 Cb -0.04 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1frf h PRO 228 CO -0.03 0.77 -0.22 -0.22 -0.21 0.00 0.00 178.00 178.09 1frf h LYS 229 N 0.37 0.16 0.13 1.05 1.63 -1.83 -3.39 116.57 114.70 1frf h LYS 229 Ca 0.04 -0.16 -0.33 0.00 -0.85 0.00 0.00 60.65 59.34 1frf h LYS 229 Cb 0.85 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 1frf h LYS 229 CO 0.07 0.89 -1.71 0.28 -3.45 0.00 0.00 179.45 175.53 1frf h VAL 230 N -0.50 0.96 -1.69 2.00 2.07 -0.89 -3.51 116.25 114.67 1frf h VAL 230 Ca -0.03 -2.61 0.19 0.00 0.82 0.00 0.00 66.70 65.08 1frf h VAL 230 Cb 0.96 2.69 -0.07 0.00 -1.52 0.00 0.00 31.29 33.35 1frf h VAL 230 CO 0.04 0.82 -0.43 0.18 0.02 0.00 0.00 177.57 178.21 1frf n LEU 231 N -3.47 -0.43 -4.36 2.57 4.77 0.12 -4.74 117.00 111.46 1frf n LEU 231 Ca -0.22 0.98 -0.32 0.00 -0.03 0.00 0.00 56.01 56.42 1frf n LEU 231 Cb 1.06 -2.34 -0.15 0.00 -2.33 0.00 0.00 43.42 39.66 1frf n LEU 231 CO 0.49 -1.61 -0.49 -0.36 -1.33 0.00 0.00 177.39 174.09 1frf s PHE 232 N -2.47 2.64 -2.02 -1.77 0.40 0.15 -4.58 117.98 110.32 1frf s PHE 232 Ca 0.00 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 1frf s PHE 232 Cb 0.00 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.84 1frf s PHE 232 CO 0.00 -0.11 0.00 0.09 0.70 0.00 0.00 175.22 175.90 1frf n ASN 233 N 2.98 -5.48 -2.26 1.36 4.13 -1.26 -0.94 115.26 113.79 1frf n ASN 233 Ca -0.18 0.47 -0.20 0.00 1.68 0.00 0.00 54.58 56.36 1frf n ASN 233 Cb 0.52 -4.65 -0.01 0.00 -1.54 0.00 0.00 39.78 34.10 1frf n ASN 233 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1frf n GLN 234 N -2.20 -1.73 0.00 3.52 3.00 -1.26 -4.82 117.38 113.89 1frf n GLN 234 Ca -0.19 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 1frf n GLN 234 Cb 0.66 -5.54 0.00 0.00 0.00 0.00 0.00 30.24 25.36 1frf n GLN 234 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1frf n VAL 235 N -4.04 0.00 -3.51 5.09 3.14 -0.12 -5.12 118.33 113.77 1frf n VAL 235 Ca -0.23 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.11 1frf n VAL 235 Cb 0.67 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.47 1frf n VAL 235 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1frf n ASN 236 N -0.62 -1.22 -3.59 6.55 2.85 -0.81 -4.93 115.26 113.49 1frf n ASN 236 Ca 0.00 -1.80 -0.10 0.00 -0.11 0.00 0.00 54.58 52.57 1frf n ASN 236 Cb 0.00 2.02 -0.05 0.00 1.24 0.00 0.00 39.78 42.98 1frf n ASN 236 CO 0.00 0.00 0.00 -1.66 -2.11 0.00 0.00 177.26 173.49 1frf s TRP 237 N -4.79 -0.38 0.07 1.20 1.48 -1.26 0.29 118.94 115.55 1frf s TRP 237 Ca 0.10 0.69 -0.13 0.00 -1.06 0.00 0.00 56.10 55.70 1frf s TRP 237 Cb -0.02 0.44 -0.03 0.00 -1.16 0.00 0.00 33.47 32.70 1frf s TRP 237 CO 0.06 -0.32 0.71 -2.30 -4.06 0.00 0.00 176.95 171.04 1frf n PRO 238 N 0.93 -0.18 -0.13 3.25 -0.02 -1.26 -0.87 135.00 136.72 1frf n PRO 238 Ca -0.10 0.70 0.06 0.00 -2.02 0.00 0.00 63.50 62.14 1frf n PRO 238 Cb 0.58 -1.03 0.38 0.00 -0.02 0.00 0.00 33.50 33.41 1frf n PRO 238 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1frf h VAL 239 N 0.00 1.03 0.00 -1.45 2.07 -1.75 0.18 116.25 116.34 1frf h VAL 239 Ca 0.07 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1frf h VAL 239 Cb 0.17 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1frf h VAL 239 CO -0.38 0.12 -0.01 -0.61 0.02 0.00 0.00 177.57 176.71 1frf h GLN 240 N 0.68 0.00 -0.76 1.57 4.15 -1.29 -0.53 115.11 118.93 1frf h GLN 240 Ca 0.27 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.65 1frf h GLN 240 Cb 0.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 1frf h GLN 240 CO -0.08 0.01 0.05 0.00 -1.93 0.00 0.00 178.83 176.88 1frf n ALA 241 N -2.10 3.54 -1.22 3.38 0.00 0.53 -4.90 120.51 119.75 1frf n ALA 241 Ca 0.02 -1.32 -0.08 0.00 0.00 0.00 0.00 53.44 52.06 1frf n ALA 241 Cb 0.38 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1frf n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1frf n GLY 242 N 0.29 0.82 3.36 0.00 0.00 -0.21 -4.98 105.19 104.47 1frf n GLY 242 Ca 0.21 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1frf n GLY 242 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1frf s HIS 243 N -1.85 2.60 0.81 1.61 5.04 -0.62 -4.98 115.29 117.90 1frf s HIS 243 Ca 0.00 -0.50 -0.13 0.00 -1.54 0.00 0.00 55.06 52.89 1frf s HIS 243 Cb 0.00 -1.66 0.09 0.00 0.04 0.00 0.00 32.58 31.05 1frf s HIS 243 CO 0.00 -0.07 1.18 -1.25 -2.34 0.00 0.00 174.74 172.25 1frf s PRO 244 N -0.27 1.67 0.22 2.88 0.04 -1.26 -2.21 135.00 136.07 1frf s PRO 244 Ca 0.01 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1frf s PRO 244 Cb -0.13 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 1frf s PRO 244 CO 0.03 -2.17 1.02 0.00 0.04 0.00 0.00 177.00 175.92 1frf n LEU 246 N 1.75 1.16 -1.08 0.00 4.32 -1.26 -1.60 117.00 120.29 1frf n LEU 246 Ca -0.00 -0.33 -0.09 0.00 -0.02 0.00 0.00 56.01 55.56 1frf n LEU 246 Cb 0.46 -0.11 -0.00 0.00 -1.62 0.00 0.00 43.42 42.16 1frf n LEU 246 CO 0.52 0.22 -0.10 0.61 -1.22 0.00 0.00 177.39 177.41 1frf n GLY 247 N 1.36 0.01 0.11 -0.72 0.00 -1.26 -4.83 105.19 99.85 1frf n GLY 247 Ca 0.12 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.72 1frf n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1frf n SER 249 N -2.01 2.85 -4.84 0.00 3.41 -1.26 -3.63 113.62 108.14 1frf n SER 249 Ca -0.00 -1.98 -0.36 0.00 -0.26 0.00 0.00 58.87 56.27 1frf n SER 249 Cb 0.06 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 63.61 1frf n SER 249 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1frf s GLU 250 N -1.33 3.34 0.29 4.33 0.41 -0.71 -4.61 118.70 120.41 1frf s GLU 250 Ca 0.36 -0.21 -0.30 0.00 -0.41 0.00 0.00 54.97 54.42 1frf s GLU 250 Cb 0.19 -3.10 -0.12 0.00 -1.78 0.00 0.00 34.13 29.32 1frf s GLU 250 CO 0.25 0.75 1.48 -0.35 -0.49 0.00 0.00 175.26 176.91 1frf n PRO 251 N 1.93 2.41 -1.89 0.39 -0.04 -1.26 -1.80 135.00 134.74 1frf n PRO 251 Ca -0.19 0.85 -0.16 0.00 -0.04 0.00 0.00 63.50 63.97 1frf n PRO 251 Cb 0.55 -2.56 -0.04 0.00 -0.04 0.00 0.00 33.50 31.40 1frf n PRO 251 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1frf n ASP 252 N 1.77 -4.45 -0.22 3.54 10.43 -1.26 -4.82 116.55 121.54 1frf n ASP 252 Ca 0.08 0.27 0.31 0.00 2.57 0.00 0.00 54.79 58.02 1frf n ASP 252 Cb 0.35 -3.91 0.72 0.00 1.84 0.00 0.00 41.12 40.13 1frf n ASP 252 CO 0.00 0.00 0.00 2.19 -1.07 0.00 0.00 177.20 178.32 1frf h PHE 253 N 0.00 0.00 -0.23 1.24 -5.15 -1.65 -0.15 116.94 111.00 1frf h PHE 253 Ca -0.35 0.00 0.07 0.00 -0.20 0.00 0.00 57.97 57.49 1frf h PHE 253 Cb 1.15 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.31 1frf h PHE 253 CO 0.53 0.00 0.18 -1.49 -2.00 0.00 0.00 178.31 175.53 1frf h TRP 254 N 0.00 0.00 0.00 6.09 4.06 -1.87 0.10 115.95 124.33 1frf h TRP 254 Ca 0.47 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.42 1frf h TRP 254 Cb 2.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.20 1frf h TRP 254 CO 0.00 0.00 -0.95 -0.25 -3.56 0.00 0.00 178.44 173.68 1frf n ASP 255 N -4.32 2.11 0.05 -3.49 10.43 -0.13 -3.95 116.55 117.25 1frf n ASP 255 Ca 0.02 -0.27 0.09 0.00 2.57 0.00 0.00 54.79 57.21 1frf n ASP 255 Cb 0.32 1.21 -0.08 0.00 1.84 0.00 0.00 41.12 44.41 1frf n ASP 255 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1frf n THR 256 N -1.53 0.50 0.09 -3.53 -1.04 -0.84 -4.29 114.28 103.63 1frf n THR 256 Ca -0.00 -0.56 0.01 0.00 -2.04 0.00 0.00 64.05 61.46 1frf n THR 256 Cb 0.16 -0.27 0.01 0.00 -1.82 0.00 0.00 70.33 68.41 1frf n THR 256 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1frf n MET 257 N -2.56 0.53 0.00 -2.82 2.81 0.32 -4.98 117.12 110.43 1frf n MET 257 Ca -0.04 -0.51 0.00 0.00 -1.81 0.00 0.00 57.70 55.34 1frf n MET 257 Cb 0.61 -0.96 0.00 0.00 -0.71 0.00 0.00 33.22 32.16 1frf n MET 257 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1frf n THR 258 N -0.09 0.00 -2.29 2.03 -2.24 -1.24 -3.04 114.28 107.42 1frf n THR 258 Ca 0.01 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.45 1frf n THR 258 Cb 0.05 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 1frf n THR 258 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1frf s PRO 259 N -1.46 3.06 0.60 -0.78 0.02 -1.26 -4.73 135.00 130.45 1frf s PRO 259 Ca 0.00 -0.76 0.29 0.00 0.02 0.00 0.00 61.00 60.54 1frf s PRO 259 Cb 0.00 -5.22 1.53 0.00 0.02 0.00 0.00 34.50 30.83 1frf s PRO 259 CO 0.00 -2.85 1.94 0.74 -0.33 0.00 0.00 177.00 176.49 1frf h PHE 260 N 10.41 0.00 -0.63 6.54 0.04 -1.88 -1.74 116.94 129.68 1frf h PHE 260 Ca 0.16 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.63 1frf h PHE 260 Cb 1.00 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 38.97 1frf h PHE 260 CO 1.25 0.00 0.24 0.66 -0.60 0.00 0.00 178.31 179.86 1frf n TYR 261 N -3.61 1.97 -3.82 -0.55 4.01 -1.26 -4.36 117.16 109.55 1frf n TYR 261 Ca 0.06 -1.63 -0.10 0.00 -0.16 0.00 0.00 57.90 56.06 1frf n TYR 261 Cb 0.56 -0.68 -0.07 0.00 -0.31 0.00 0.00 39.34 38.84 1frf n TYR 261 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1frf s GLU 262 N -3.23 0.82 -0.25 -0.72 2.02 -0.65 -4.12 118.70 112.57 1frf s GLU 262 Ca 0.50 -0.79 0.09 0.00 0.02 0.00 0.00 54.97 54.79 1frf s GLU 262 Cb 0.44 0.34 0.65 0.00 0.10 0.00 0.00 34.13 35.66 1frf s GLU 262 CO 0.06 -0.26 1.62 1.04 0.02 0.00 0.00 175.26 177.73 1frf n GLN 263 N 0.19 3.60 0.00 1.61 1.13 -1.26 -4.55 117.38 118.10 1frf n GLN 263 Ca -0.17 -2.61 0.00 0.00 -1.94 0.00 0.00 57.00 52.28 1frf n GLN 263 Cb 0.61 -2.10 0.00 0.00 0.11 0.00 0.00 30.24 28.86 1frf n GLN 263 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03