#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 43ca s VAL 2 N 0.00 4.84 -0.05 1.69 1.01 -1.26 -4.35 120.40 122.28 43ca s VAL 2 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 43ca s VAL 2 Cb 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.23 43ca s VAL 2 CO 0.00 0.48 0.13 -1.10 0.00 0.00 0.00 175.10 174.61 43ca s GLN 3 N 0.20 0.15 -0.24 2.72 -0.21 0.49 -5.00 119.66 117.77 43ca s GLN 3 Ca 0.05 0.21 0.01 0.00 0.02 0.00 0.00 55.36 55.64 43ca s GLN 3 Cb -0.12 0.04 0.04 0.00 1.00 0.00 0.00 33.01 33.97 43ca s GLN 3 CO 0.00 -0.04 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.51 43ca s LEU 4 N 0.21 3.01 -0.22 2.90 1.02 -1.26 -1.54 118.68 122.81 43ca s LEU 4 Ca -0.01 -0.99 0.02 0.00 0.02 0.00 0.00 54.13 53.17 43ca s LEU 4 Cb -0.02 -1.58 0.04 0.00 0.02 0.00 0.00 46.19 44.65 43ca s LEU 4 CO -0.01 -0.12 -0.15 -0.69 0.02 0.00 0.00 176.35 175.41 43ca s VAL 5 N 1.24 2.05 0.11 -1.59 1.01 0.95 -2.74 120.40 121.43 43ca s VAL 5 Ca -0.02 -1.27 -0.15 0.00 0.00 0.00 0.00 61.98 60.55 43ca s VAL 5 Cb -0.17 -2.03 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 43ca s VAL 5 CO -0.07 0.23 0.52 -1.61 0.00 0.00 0.00 175.10 174.17 43ca s GLU 6 N 1.22 3.99 -0.04 2.72 8.01 -1.26 0.03 118.70 133.38 43ca s GLU 6 Ca -0.02 0.50 0.02 0.00 0.01 0.00 0.00 54.97 55.48 43ca s GLU 6 Cb -0.17 -3.04 0.01 0.00 -4.31 0.00 0.00 34.13 26.62 43ca s GLU 6 CO -0.09 0.55 -0.09 -1.54 0.01 0.00 0.00 175.26 174.10 43ca s SER 7 N -1.52 1.26 0.13 -0.19 1.04 -0.73 -4.68 113.70 109.02 43ca s SER 7 Ca 0.34 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.57 43ca s SER 7 Cb -0.16 -0.43 -0.00 0.00 0.10 0.00 0.00 66.02 65.53 43ca s SER 7 CO 0.18 0.04 0.16 0.61 0.98 0.00 0.00 173.24 175.21 43ca n GLY 8 N 3.51 3.02 0.20 7.32 0.00 -1.26 -2.82 105.19 115.16 43ca n GLY 8 Ca -0.20 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.39 43ca n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 43ca h PRO 9 N 0.00 0.00 0.00 1.61 0.13 -1.88 -3.49 132.00 128.37 43ca h PRO 9 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 43ca h PRO 9 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 43ca h PRO 9 CO 0.14 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.32 43ca n GLY 10 N 0.83 2.14 3.71 1.56 0.00 -1.25 -4.73 105.19 107.43 43ca n GLY 10 Ca 0.03 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 43ca n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 43ca s LEU 11 N 0.00 4.35 -0.02 0.99 1.43 -1.26 -1.52 118.68 122.64 43ca s LEU 11 Ca 0.00 1.73 -0.03 0.00 -1.03 0.00 0.00 54.13 54.81 43ca s LEU 11 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 43ca s LEU 11 CO 0.00 -0.35 0.06 -0.69 0.23 0.00 0.00 176.35 175.60 43ca s VAL 12 N 1.24 0.02 0.35 -1.59 1.01 0.89 -4.94 120.40 117.38 43ca s VAL 12 Ca 0.53 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 62.12 43ca s VAL 12 Cb -0.23 -0.14 -0.10 0.00 0.00 0.00 0.00 36.38 35.91 43ca s VAL 12 CO 0.26 -0.08 0.98 0.00 0.00 0.00 0.00 175.10 176.27 43ca s ALA 13 N -0.21 3.18 1.09 5.51 0.00 -1.25 -0.71 121.76 129.37 43ca s ALA 13 Ca -0.03 0.58 -0.12 0.00 0.00 0.00 0.00 51.96 52.39 43ca s ALA 13 Cb -0.02 -3.21 0.22 0.00 0.00 0.00 0.00 23.12 20.11 43ca s ALA 13 CO 0.00 0.06 0.94 -2.30 0.00 0.00 0.00 175.76 174.46 43ca n PRO 14 N 0.36 -1.73 -0.95 0.00 -0.02 -1.26 -3.22 135.00 128.17 43ca n PRO 14 Ca 0.03 -0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 43ca n PRO 14 Cb 0.50 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 43ca n PRO 14 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 43ca n SER 15 N -4.32 -3.56 -4.99 2.55 7.64 0.71 -4.89 113.62 106.76 43ca n SER 15 Ca 0.06 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.76 43ca n SER 15 Cb 0.54 -1.83 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 43ca n SER 15 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 43ca s GLN 16 N -0.89 2.79 -0.26 1.43 -1.52 -1.20 -4.67 119.66 115.35 43ca s GLN 16 Ca 0.00 -1.28 -0.11 0.00 -1.95 0.00 0.00 55.36 52.02 43ca s GLN 16 Cb 0.00 -2.70 -0.05 0.00 -0.22 0.00 0.00 33.01 30.04 43ca s GLN 16 CO 0.00 -0.25 0.17 -1.12 -0.25 0.00 0.00 175.29 173.84 43ca s SER 17 N -4.31 6.02 0.30 5.90 0.01 -1.26 -1.19 113.70 119.17 43ca s SER 17 Ca 0.54 0.04 -0.16 0.00 1.31 0.00 0.00 55.95 57.68 43ca s SER 17 Cb -0.09 -2.10 -0.09 0.00 0.21 0.00 0.00 66.02 63.95 43ca s SER 17 CO 0.32 0.01 0.72 -0.22 0.41 0.00 0.00 173.24 174.49 43ca s LEU 18 N 1.38 4.13 -0.18 2.44 2.96 0.11 -4.92 118.68 124.59 43ca s LEU 18 Ca 0.07 1.29 -0.05 0.00 -0.22 0.00 0.00 54.13 55.22 43ca s LEU 18 Cb -0.15 -3.95 0.09 0.00 0.50 0.00 0.00 46.19 42.68 43ca s LEU 18 CO 0.07 -0.15 0.33 -0.44 -1.32 0.00 0.00 176.35 174.85 43ca s SER 19 N -2.14 0.21 0.11 3.68 0.01 -1.26 -0.97 113.70 113.34 43ca s SER 19 Ca 0.51 0.60 0.10 0.00 1.31 0.00 0.00 55.95 58.48 43ca s SER 19 Cb -0.12 0.96 -0.04 0.00 0.21 0.00 0.00 66.02 67.04 43ca s SER 19 CO 0.18 -0.25 -0.25 -0.63 0.41 0.00 0.00 173.24 172.70 43ca s ILE 20 N 2.50 2.38 -0.10 1.44 1.01 0.42 -4.57 121.20 124.28 43ca s ILE 20 Ca 0.03 -1.63 -0.00 0.00 0.00 0.00 0.00 60.65 59.05 43ca s ILE 20 Cb -0.13 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.32 43ca s ILE 20 CO -0.11 0.15 -0.07 -0.89 0.00 0.00 0.00 174.94 174.02 43ca s THR 21 N -1.03 0.91 -0.32 2.92 2.01 -1.13 -1.05 115.64 117.95 43ca s THR 21 Ca 0.14 -0.23 -0.16 0.00 0.31 0.00 0.00 61.69 61.76 43ca s THR 21 Cb -0.10 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 43ca s THR 21 CO 0.06 0.34 0.41 0.00 -0.69 0.00 0.00 174.62 174.74 43ca s THR 23 N 2.14 4.79 0.12 0.00 2.01 0.10 -1.73 115.64 123.08 43ca s THR 23 Ca 0.15 -0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.03 43ca s THR 23 Cb -0.16 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 43ca s THR 23 CO 0.11 0.18 0.02 -0.69 -0.69 0.00 0.00 174.62 173.56 43ca s VAL 24 N 1.67 4.05 -0.29 3.82 1.01 -0.94 -0.04 120.40 129.69 43ca s VAL 24 Ca 0.06 -1.08 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 43ca s VAL 24 Cb -0.16 -2.98 0.10 0.00 0.00 0.00 0.00 36.38 33.34 43ca s VAL 24 CO 0.07 0.04 0.71 -0.94 0.00 0.00 0.00 175.10 174.98 43ca s SER 25 N -2.57 -0.96 0.00 3.32 1.04 -0.59 -4.84 113.70 109.11 43ca s SER 25 Ca 0.27 1.46 0.00 0.00 0.48 0.00 0.00 55.95 58.16 43ca s SER 25 Cb -0.11 1.62 0.00 0.00 0.10 0.00 0.00 66.02 67.63 43ca s SER 25 CO 0.19 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.80 43ca n GLY 26 N 4.58 1.16 2.15 7.32 0.00 -1.26 -0.38 105.19 118.75 43ca n GLY 26 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 43ca n GLY 26 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 43ca n ILE 27 N 0.00 0.00 -5.12 -0.61 -5.35 -1.26 -4.92 119.36 102.10 43ca n ILE 27 Ca 0.00 -1.58 -0.30 0.00 -0.27 0.00 0.00 62.75 60.60 43ca n ILE 27 Cb 0.00 0.69 -0.16 0.00 -1.74 0.00 0.00 39.64 38.43 43ca n ILE 27 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 43ca s SER 28 N -2.58 2.76 0.17 7.28 1.04 -1.26 -5.03 113.70 116.08 43ca s SER 28 Ca 0.21 -0.46 0.16 0.00 0.48 0.00 0.00 55.95 56.34 43ca s SER 28 Cb 0.01 -0.75 0.75 0.00 0.10 0.00 0.00 66.02 66.13 43ca s SER 28 CO 0.15 0.22 1.48 0.18 0.98 0.00 0.00 173.24 176.25 43ca n LEU 29 N 3.00 0.36 0.06 2.42 4.77 -1.26 -1.43 117.00 124.91 43ca n LEU 29 Ca -0.18 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.55 43ca n LEU 29 Cb 0.52 -0.63 0.12 0.00 -2.33 0.00 0.00 43.42 41.10 43ca n LEU 29 CO 0.25 -0.61 0.24 0.77 -1.33 0.00 0.00 177.39 176.70 43ca h SER 30 N 0.00 0.00 0.22 -1.43 4.64 -1.94 -3.36 113.55 111.68 43ca h SER 30 Ca 0.00 -0.20 -0.32 0.00 -0.47 0.00 0.00 61.79 60.80 43ca h SER 30 Cb 0.14 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.17 43ca h SER 30 CO 0.00 0.10 -2.08 -1.14 -0.87 0.00 0.00 176.83 172.84 43ca n ARG 31 N -2.20 0.66 -4.39 4.77 0.63 -0.52 -4.42 116.66 111.19 43ca n ARG 31 Ca 0.02 0.11 -0.24 0.00 -0.92 0.00 0.00 57.85 56.83 43ca n ARG 31 Cb 0.46 -1.64 -0.09 0.00 0.45 0.00 0.00 32.46 31.64 43ca n ARG 31 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 43ca s TYR 32 N -2.57 2.48 -0.15 -0.14 1.51 -0.90 -4.23 117.35 113.35 43ca s TYR 32 Ca -0.08 -0.34 -0.05 0.00 -1.01 0.00 0.00 57.07 55.59 43ca s TYR 32 Cb 0.07 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.67 43ca s TYR 32 CO 0.83 0.62 0.01 -0.80 -1.11 0.00 0.00 175.55 175.10 43ca s ASN 33 N -3.62 5.26 -0.16 2.29 0.01 0.17 -2.98 114.94 115.91 43ca s ASN 33 Ca 0.32 0.03 -0.01 0.00 -0.71 0.00 0.00 52.86 52.48 43ca s ASN 33 Cb -0.03 -1.80 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 43ca s ASN 33 CO 0.18 0.22 -0.11 -0.69 -1.51 0.00 0.00 177.10 175.19 43ca s VAL 34 N 0.06 3.15 0.10 1.60 1.01 -0.95 -0.40 120.40 124.97 43ca s VAL 34 Ca 0.03 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.46 43ca s VAL 34 Cb -0.13 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 43ca s VAL 34 CO 0.02 0.50 -0.08 -1.00 0.00 0.00 0.00 175.10 174.53 43ca s HIS 35 N 0.66 2.78 -0.29 5.22 3.76 0.13 -0.88 115.29 126.67 43ca s HIS 35 Ca -0.06 -0.13 -0.06 0.00 -0.15 0.00 0.00 55.06 54.65 43ca s HIS 35 Cb -0.15 -1.45 0.01 0.00 1.11 0.00 0.00 32.58 32.10 43ca s HIS 35 CO 0.02 0.43 0.07 -1.58 -0.85 0.00 0.00 174.74 172.84 43ca s TRP 36 N -1.23 3.14 0.11 1.40 0.52 -0.08 -0.07 118.94 122.75 43ca s TRP 36 Ca 0.22 -1.01 0.07 0.00 0.02 0.00 0.00 56.10 55.40 43ca s TRP 36 Cb -0.11 -2.24 -0.04 0.00 -1.15 0.00 0.00 33.47 29.93 43ca s TRP 36 CO 0.14 -0.58 -0.17 0.08 0.02 0.00 0.00 176.95 176.44 43ca s VAL 37 N 1.49 1.50 0.03 4.03 1.01 0.79 -0.17 120.40 129.08 43ca s VAL 37 Ca 0.02 -1.62 0.03 0.00 0.00 0.00 0.00 61.98 60.41 43ca s VAL 37 Cb -0.17 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 43ca s VAL 37 CO 0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 175.10 174.78 43ca s ARG 38 N -2.28 0.62 0.06 2.72 1.70 -0.49 0.24 118.95 121.52 43ca s ARG 38 Ca 0.07 -0.66 0.06 0.00 -0.47 0.00 0.00 55.73 54.74 43ca s ARG 38 Cb -0.08 -0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 33.78 43ca s ARG 38 CO 0.04 0.11 -0.17 -1.14 -1.08 0.00 0.00 175.30 173.06 43ca s GLN 39 N -1.20 1.06 -0.06 3.89 0.74 0.14 -0.82 119.66 123.40 43ca s GLN 39 Ca -0.04 -0.93 -0.25 0.00 0.05 0.00 0.00 55.36 54.19 43ca s GLN 39 Cb -0.08 -1.15 0.05 0.00 1.10 0.00 0.00 33.01 32.94 43ca s GLN 39 CO 0.01 0.28 0.56 -1.12 -0.55 0.00 0.00 175.29 174.46 43ca s SER 40 N -1.44 -0.52 0.28 6.67 0.01 -0.74 -1.04 113.70 116.92 43ca s SER 40 Ca 0.03 0.60 -0.02 0.00 1.31 0.00 0.00 55.95 57.87 43ca s SER 40 Cb -0.09 0.56 0.39 0.00 0.21 0.00 0.00 66.02 67.09 43ca s SER 40 CO 0.02 -0.51 1.84 1.55 0.41 0.00 0.00 173.24 176.55 43ca h PRO 41 N 3.54 0.87 0.22 12.44 0.13 -1.97 0.39 132.00 147.63 43ca h PRO 41 Ca -0.28 -0.16 -0.32 0.00 -0.87 0.00 0.00 66.00 64.36 43ca h PRO 41 Cb 1.15 -0.14 0.03 0.00 0.13 0.00 0.00 31.00 32.18 43ca h PRO 41 CO 0.36 0.76 -1.42 0.78 -0.23 0.00 0.00 178.00 178.24 43ca h GLY 42 N 0.98 0.56 0.95 1.56 0.00 -1.99 -3.36 103.07 101.77 43ca h GLY 42 Ca 0.19 -1.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.09 43ca h GLY 42 CO -0.01 1.24 -1.08 0.28 0.00 0.00 0.00 176.54 176.97 43ca n LYS 43 N -3.68 0.61 0.00 4.80 5.02 -1.20 -5.07 118.16 118.63 43ca n LYS 43 Ca -0.15 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 43ca n LYS 43 Cb 1.08 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 43ca n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 43ca n GLY 44 N 1.20 -0.70 3.69 0.72 0.00 0.14 -4.75 105.19 105.49 43ca n GLY 44 Ca -0.01 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 43ca n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 43ca s LEU 45 N 0.00 4.20 -0.07 0.99 1.43 -1.26 -1.78 118.68 122.18 43ca s LEU 45 Ca 0.00 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.84 43ca s LEU 45 Cb 0.00 -2.69 0.01 0.00 0.03 0.00 0.00 46.19 43.55 43ca s LEU 45 CO 0.00 -0.09 -0.12 -1.61 0.23 0.00 0.00 176.35 174.75 43ca s GLU 46 N 1.17 1.78 -0.22 1.70 2.02 -0.00 -4.98 118.70 120.17 43ca s GLU 46 Ca 0.24 -0.43 -0.28 0.00 0.02 0.00 0.00 54.97 54.53 43ca s GLU 46 Cb -0.15 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.58 43ca s GLU 46 CO 0.10 -0.00 0.96 -0.46 0.02 0.00 0.00 175.26 175.88 43ca s TRP 47 N 0.77 3.36 -0.20 1.61 -0.00 -1.26 -1.39 118.94 121.83 43ca s TRP 47 Ca -0.12 1.37 -0.18 0.00 -0.00 0.00 0.00 56.10 57.16 43ca s TRP 47 Cb -0.16 -3.18 -0.20 0.00 -0.00 0.00 0.00 33.47 29.94 43ca s TRP 47 CO 0.02 -0.41 0.20 1.28 -0.00 0.00 0.00 176.95 178.04 43ca n LEU 48 N 6.02 2.01 0.00 5.86 4.77 0.76 -4.61 117.00 131.81 43ca n LEU 48 Ca 0.09 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 43ca n LEU 48 Cb 0.47 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 43ca n LEU 48 CO 0.50 0.40 0.07 0.61 -1.33 0.00 0.00 177.39 177.65 43ca n GLY 49 N 1.52 0.41 3.50 -0.72 0.00 -1.12 -0.12 105.19 108.66 43ca n GLY 49 Ca -0.34 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 43ca n GLY 49 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 43ca s MET 50 N -2.00 0.92 -0.14 1.61 0.23 -0.34 -0.90 119.30 118.68 43ca s MET 50 Ca 0.02 -0.12 -0.01 0.00 -1.03 0.00 0.00 55.69 54.55 43ca s MET 50 Cb -0.00 0.43 0.04 0.00 -1.53 0.00 0.00 34.83 33.77 43ca s MET 50 CO -0.00 -0.36 -0.06 -1.50 -2.03 0.00 0.00 175.02 171.07 43ca s ILE 51 N -2.41 1.05 0.62 3.16 2.07 -0.05 -0.49 121.20 125.14 43ca s ILE 51 Ca -0.01 -0.48 -0.18 0.00 -1.41 0.00 0.00 60.65 58.57 43ca s ILE 51 Cb -0.01 -1.17 -0.02 0.00 0.13 0.00 0.00 42.46 41.39 43ca s ILE 51 CO -0.04 0.21 1.24 0.26 -1.91 0.00 0.00 174.94 174.70 43ca s TRP 52 N 1.67 2.25 0.57 3.50 0.52 0.12 -2.24 118.94 125.33 43ca s TRP 52 Ca 0.02 1.51 0.28 0.00 0.02 0.00 0.00 56.10 57.93 43ca s TRP 52 Cb -0.14 -3.56 1.51 0.00 -1.15 0.00 0.00 33.47 30.13 43ca s TRP 52 CO -0.08 -2.50 2.00 0.78 0.02 0.00 0.00 176.95 177.17 43ca h GLY 53 N 0.67 0.00 -2.45 0.98 0.00 -1.69 0.31 103.07 100.89 43ca h GLY 53 Ca -0.50 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 43ca h GLY 53 CO 0.54 0.00 0.09 0.61 0.00 0.00 0.00 176.54 177.78 43ca n GLY 54 N -1.52 2.51 3.32 4.60 0.00 -1.26 -4.16 105.19 108.69 43ca n GLY 54 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.62 43ca n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 43ca n GLY 55 N 0.12 2.83 3.77 -0.02 0.00 0.11 -5.01 105.19 106.99 43ca n GLY 55 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 43ca n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 43ca s SER 56 N -3.24 6.58 -0.13 1.61 0.15 -1.26 -4.74 113.70 112.67 43ca s SER 56 Ca 0.00 2.50 0.03 0.00 0.70 0.00 0.00 55.95 59.18 43ca s SER 56 Cb 0.00 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 43ca s SER 56 CO 0.00 -0.65 -0.21 -0.63 1.20 0.00 0.00 173.24 172.95 43ca s ILE 57 N -1.29 1.98 0.11 6.45 1.01 -1.26 0.12 121.20 128.32 43ca s ILE 57 Ca 0.54 -0.94 0.09 0.00 0.00 0.00 0.00 60.65 60.34 43ca s ILE 57 Cb -0.35 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 43ca s ILE 57 CO 0.45 0.54 -0.19 -1.61 0.00 0.00 0.00 174.94 174.12 43ca s GLU 58 N 0.77 1.78 0.12 2.79 2.02 0.36 -5.00 118.70 121.55 43ca s GLU 58 Ca -0.09 -1.17 0.07 0.00 0.02 0.00 0.00 54.97 53.81 43ca s GLU 58 Cb -0.16 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 43ca s GLU 58 CO -0.01 0.49 -0.17 0.71 0.02 0.00 0.00 175.26 176.30 43ca s TYR 59 N -1.09 1.60 -0.06 1.61 2.02 -1.26 -1.20 117.35 118.97 43ca s TYR 59 Ca 0.17 -0.49 -0.30 0.00 -0.37 0.00 0.00 57.07 56.09 43ca s TYR 59 Cb -0.10 -0.84 -0.05 0.00 -0.40 0.00 0.00 41.96 40.57 43ca s TYR 59 CO 0.09 0.20 1.53 1.21 -1.57 0.00 0.00 175.55 177.01 43ca s ASN 60 N -2.30 6.75 0.32 2.29 3.84 0.82 -4.88 114.94 121.79 43ca s ASN 60 Ca 0.09 2.12 0.10 0.00 0.21 0.00 0.00 52.86 55.38 43ca s ASN 60 Cb -0.07 -2.54 0.89 0.00 -0.55 0.00 0.00 41.25 38.98 43ca s ASN 60 CO 0.04 -0.85 1.73 1.55 -2.79 0.00 0.00 177.10 176.79 43ca h PRO 61 N 8.83 0.57 -0.65 0.43 0.13 -1.94 -1.03 132.00 138.34 43ca h PRO 61 Ca -0.37 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.77 43ca h PRO 61 Cb 1.16 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.13 43ca h PRO 61 CO 0.94 0.37 0.43 0.00 -0.23 0.00 0.00 178.00 179.52 43ca h ALA 62 N 1.73 1.65 -0.12 -0.56 0.00 -1.98 -3.09 119.26 116.90 43ca h ALA 62 Ca 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.52 43ca h ALA 62 Cb 1.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.80 43ca h ALA 62 CO -0.47 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.33 43ca n LEU 63 N -4.46 2.27 -0.28 0.00 4.77 -0.73 -4.71 117.00 113.86 43ca n LEU 63 Ca 0.08 -1.29 0.10 0.00 -0.03 0.00 0.00 56.01 54.87 43ca n LEU 63 Cb 0.14 -0.07 0.25 0.00 -2.33 0.00 0.00 43.42 41.41 43ca n LEU 63 CO 0.35 0.48 0.94 0.50 -1.33 0.00 0.00 177.39 178.33 43ca h LYS 64 N 2.25 0.23 -0.57 3.23 3.64 -1.13 0.32 116.57 124.54 43ca h LYS 64 Ca 0.00 -0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.53 43ca h LYS 64 Cb 0.56 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 43ca h LYS 64 CO 0.00 0.15 0.44 0.66 -2.27 0.00 0.00 179.45 178.43 43ca h SER 65 N 0.23 0.00 0.00 4.20 4.64 -1.84 -1.61 113.55 119.17 43ca h SER 65 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 43ca h SER 65 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 43ca h SER 65 CO -0.61 0.00 -0.92 0.54 -0.87 0.00 0.00 176.83 174.97 43ca n ARG 66 N -4.23 1.34 -3.54 4.77 1.74 0.03 -4.99 116.66 111.79 43ca n ARG 66 Ca 0.11 -0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.93 43ca n ARG 66 Cb 0.67 -1.31 -0.01 0.00 -1.02 0.00 0.00 32.46 30.79 43ca n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 43ca s LEU 67 N -2.97 4.10 -0.25 0.55 1.43 -0.61 -1.70 118.68 119.23 43ca s LEU 67 Ca 0.05 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 43ca s LEU 67 Cb 0.12 -3.20 0.09 0.00 0.03 0.00 0.00 46.19 43.24 43ca s LEU 67 CO 0.69 -0.23 0.58 -0.55 0.23 0.00 0.00 176.35 177.07 43ca s SER 68 N -3.99 -0.81 0.06 2.29 0.15 -0.72 -4.96 113.70 105.72 43ca s SER 68 Ca 0.38 1.33 0.05 0.00 0.70 0.00 0.00 55.95 58.42 43ca s SER 68 Cb -0.09 1.52 -0.03 0.00 -1.71 0.00 0.00 66.02 65.71 43ca s SER 68 CO 0.34 -0.22 -0.15 -0.63 1.20 0.00 0.00 173.24 173.78 43ca s ILE 69 N 2.10 1.19 0.09 6.45 1.01 -1.26 -0.76 121.20 130.02 43ca s ILE 69 Ca -0.07 -1.20 -0.27 0.00 0.00 0.00 0.00 60.65 59.11 43ca s ILE 69 Cb -0.09 -1.11 0.09 0.00 0.01 0.00 0.00 42.46 41.37 43ca s ILE 69 CO -0.17 -0.10 1.11 -0.94 0.00 0.00 0.00 174.94 174.84 43ca s SER 70 N -1.50 -0.08 0.19 3.58 1.04 -0.88 -4.99 113.70 111.06 43ca s SER 70 Ca 0.01 -0.35 -0.15 0.00 0.48 0.00 0.00 55.95 55.93 43ca s SER 70 Cb -0.09 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.40 43ca s SER 70 CO 0.02 -0.66 0.47 -1.59 0.98 0.00 0.00 173.24 172.46 43ca s LYS 71 N -2.67 1.35 -0.33 4.02 -2.85 -1.26 0.57 119.74 118.57 43ca s LYS 71 Ca 0.16 -0.96 -0.01 0.00 -1.00 0.00 0.00 55.97 54.16 43ca s LYS 71 Cb 0.01 0.49 0.11 0.00 -2.06 0.00 0.00 37.83 36.38 43ca s LYS 71 CO 0.01 -0.56 0.15 0.34 0.10 0.00 0.00 175.35 175.38 43ca s ASP 72 N -2.90 3.67 0.33 0.03 2.15 0.29 -5.00 116.67 115.24 43ca s ASP 72 Ca 0.12 -1.78 0.04 0.00 0.43 0.00 0.00 52.55 51.36 43ca s ASP 72 Cb -0.00 -0.67 0.65 0.00 -0.30 0.00 0.00 42.92 42.59 43ca s ASP 72 CO -0.01 -0.38 1.93 0.78 -0.17 0.00 0.00 175.17 177.32 43ca h ASN 73 N 7.80 0.77 0.17 -0.34 2.35 -1.95 0.45 115.58 124.84 43ca h ASN 73 Ca -0.10 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 43ca h ASN 73 Cb 0.99 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.21 43ca h ASN 73 CO 0.43 0.49 -0.08 0.77 -1.65 0.00 0.00 177.43 177.39 43ca h SER 74 N 0.88 -0.19 0.35 5.81 4.64 -1.96 -2.48 113.55 120.58 43ca h SER 74 Ca 0.35 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 43ca h SER 74 Cb 0.25 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 43ca h SER 74 CO -0.13 -0.13 -0.03 1.17 -0.87 0.00 0.00 176.83 176.85 43ca n LYS 75 N -5.18 0.69 -3.45 4.77 4.81 -0.73 -4.93 118.16 114.12 43ca n LYS 75 Ca -0.09 -0.09 -0.20 0.00 -0.87 0.00 0.00 58.31 57.06 43ca n LYS 75 Cb 0.12 -1.50 0.07 0.00 0.02 0.00 0.00 35.03 33.75 43ca n LYS 75 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 43ca n SER 76 N -1.08 -5.13 -4.11 3.14 2.88 0.15 -4.92 113.62 104.55 43ca n SER 76 Ca 0.17 -0.50 -0.17 0.00 -1.33 0.00 0.00 58.87 57.04 43ca n SER 76 Cb 0.22 -4.63 -0.12 0.00 -0.75 0.00 0.00 64.21 58.93 43ca n SER 76 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 43ca s GLN 77 N -5.99 0.73 0.05 -1.46 -0.21 -0.89 -2.22 119.66 109.67 43ca s GLN 77 Ca 0.42 -0.79 0.09 0.00 0.02 0.00 0.00 55.36 55.10 43ca s GLN 77 Cb -0.18 -0.66 -0.03 0.00 1.00 0.00 0.00 33.01 33.14 43ca s GLN 77 CO 0.66 0.15 -0.24 0.42 -2.12 0.00 0.00 175.29 174.16 43ca s ILE 78 N -1.12 1.97 0.03 1.08 1.09 -0.71 -0.55 121.20 123.00 43ca s ILE 78 Ca -0.03 -1.33 0.05 0.00 -1.10 0.00 0.00 60.65 58.24 43ca s ILE 78 Cb -0.09 -1.70 -0.02 0.00 -1.06 0.00 0.00 42.46 39.60 43ca s ILE 78 CO 0.01 0.30 -0.15 -0.36 -0.10 0.00 0.00 174.94 174.64 43ca s PHE 79 N -0.81 1.34 -0.04 3.97 0.08 0.19 -0.44 117.98 122.27 43ca s PHE 79 Ca 0.10 -0.34 0.05 0.00 0.12 0.00 0.00 56.93 56.86 43ca s PHE 79 Cb -0.10 -0.81 -0.01 0.00 -0.57 0.00 0.00 43.02 41.54 43ca s PHE 79 CO 0.02 0.03 -0.17 -1.17 -0.10 0.00 0.00 175.22 173.83 43ca s LEU 80 N -1.00 1.94 -0.06 -0.37 2.96 -0.22 -2.07 118.68 119.87 43ca s LEU 80 Ca 0.03 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 43ca s LEU 80 Cb -0.08 -0.96 0.03 0.00 0.50 0.00 0.00 46.19 45.69 43ca s LEU 80 CO 0.01 0.17 0.06 -0.75 -1.32 0.00 0.00 176.35 174.51 43ca s LYS 81 N -0.06 0.01 -0.03 1.98 2.20 0.06 -0.43 119.74 123.47 43ca s LYS 81 Ca -0.01 0.29 0.06 0.00 -0.36 0.00 0.00 55.97 55.95 43ca s LYS 81 Cb -0.10 -0.73 -0.02 0.00 -1.51 0.00 0.00 37.83 35.46 43ca s LYS 81 CO 0.02 -0.37 -0.21 1.41 -0.36 0.00 0.00 175.35 175.84 43ca s MET 82 N 2.14 2.28 0.27 4.03 1.75 -0.14 -1.76 119.30 127.87 43ca s MET 82 Ca 0.05 -0.83 0.06 0.00 -1.25 0.00 0.00 55.69 53.71 43ca s MET 82 Cb -0.13 -2.19 -0.03 0.00 2.84 0.00 0.00 34.83 35.33 43ca s MET 82 CO -0.04 0.59 0.36 -0.80 -0.65 0.00 0.00 175.02 174.48 43ca s ASN 82 N -0.68 6.09 -0.97 1.11 0.01 -0.69 0.09 114.94 119.91 43ca s ASN 82 Ca 0.11 -0.06 -0.19 0.00 -0.71 0.00 0.00 52.86 52.02 43ca s ASN 82 Cb -0.10 -1.62 0.03 0.00 0.41 0.00 0.00 41.25 39.96 43ca s ASN 82 CO -0.00 -0.16 0.59 -1.20 -1.51 0.00 0.00 177.10 174.83 43ca n SER 82 N -1.42 -4.05 -4.69 -1.22 7.64 -1.18 -4.84 113.62 103.86 43ca n SER 82 Ca -0.07 -1.08 -0.44 0.00 1.01 0.00 0.00 58.87 58.29 43ca n SER 82 Cb 0.57 -1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 62.30 43ca n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 43ca n LEU 82 N -3.78 3.43 -4.71 -3.43 4.77 -0.33 -4.65 117.00 108.31 43ca n LEU 82 Ca -0.19 1.17 -0.25 0.00 -0.03 0.00 0.00 56.01 56.70 43ca n LEU 82 Cb 0.57 -1.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.11 43ca n LEU 82 CO 0.65 -0.40 -0.19 -1.10 -1.33 0.00 0.00 177.39 175.01 43ca s GLN 83 N -0.94 2.18 0.27 3.23 -0.21 -1.26 -0.21 119.66 122.72 43ca s GLN 83 Ca 0.63 -1.86 0.24 0.00 0.02 0.00 0.00 55.36 54.39 43ca s GLN 83 Cb -0.60 -1.93 1.00 0.00 1.00 0.00 0.00 33.01 32.47 43ca s GLN 83 CO 0.54 -0.07 1.72 0.25 -2.12 0.00 0.00 175.29 175.60 43ca n THR 84 N -1.17 0.83 0.81 -0.19 -2.24 -1.26 -1.63 114.28 109.43 43ca n THR 84 Ca -0.02 0.24 0.13 0.00 -2.27 0.00 0.00 64.05 62.14 43ca n THR 84 Cb 0.65 -1.18 0.50 0.00 -2.10 0.00 0.00 70.33 68.19 43ca n THR 84 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 43ca n ASP 85 N -2.26 0.42 0.04 3.42 8.00 -1.26 -3.30 116.55 121.61 43ca n ASP 85 Ca 0.02 0.51 0.13 0.00 0.71 0.00 0.00 54.79 56.16 43ca n ASP 85 Cb 0.23 -0.61 0.49 0.00 -0.02 0.00 0.00 41.12 41.21 43ca n ASP 85 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 43ca n ASP 86 N -1.88 0.38 -4.67 -2.24 8.00 -0.65 -4.87 116.55 110.62 43ca n ASP 86 Ca 0.06 0.46 -0.45 0.00 0.71 0.00 0.00 54.79 55.57 43ca n ASP 86 Cb 0.39 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 43ca n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 43ca n SER 87 N -1.82 2.80 0.00 -2.24 7.64 -1.21 -4.92 113.62 113.88 43ca n SER 87 Ca 0.06 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.07 43ca n SER 87 Cb 0.38 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 43ca n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 43ca n ALA 88 N 2.21 0.00 -2.55 -0.43 0.00 0.15 -4.91 120.51 114.98 43ca n ALA 88 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 43ca n ALA 88 Cb 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.69 43ca n ALA 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 43ca s MET 89 N -2.00 3.52 0.05 0.00 -2.45 -0.21 -0.56 119.30 117.66 43ca s MET 89 Ca 0.00 -0.10 -0.18 0.00 -1.25 0.00 0.00 55.69 54.16 43ca s MET 89 Cb 0.00 -3.87 -0.06 0.00 1.25 0.00 0.00 34.83 32.15 43ca s MET 89 CO 0.00 -0.87 0.53 0.71 1.05 0.00 0.00 175.02 176.44 43ca s TYR 90 N 2.81 3.79 0.03 4.11 1.51 -0.13 -0.68 117.35 128.78 43ca s TYR 90 Ca 0.24 1.20 -0.02 0.00 -1.01 0.00 0.00 57.07 57.48 43ca s TYR 90 Cb -0.14 -2.44 -0.02 0.00 -0.11 0.00 0.00 41.96 39.24 43ca s TYR 90 CO 0.17 0.60 0.01 0.71 -1.11 0.00 0.00 175.55 175.93 43ca s TYR 91 N -1.10 0.31 -0.04 2.71 2.02 0.14 -0.85 117.35 120.54 43ca s TYR 91 Ca 0.28 -0.67 0.04 0.00 -0.37 0.00 0.00 57.07 56.34 43ca s TYR 91 Cb -0.19 -0.23 -0.03 0.00 -0.40 0.00 0.00 41.96 41.11 43ca s TYR 91 CO 0.18 -0.30 -0.13 0.00 -1.57 0.00 0.00 175.55 173.73 43ca s VAL 93 N -0.79 0.60 -0.04 0.00 1.01 0.91 -1.83 120.40 120.25 43ca s VAL 93 Ca 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 43ca s VAL 93 Cb -0.11 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 43ca s VAL 93 CO 0.02 0.23 0.06 -0.94 0.00 0.00 0.00 175.10 174.48 43ca s SER 94 N 0.82 5.64 -0.06 3.32 1.04 -0.27 0.19 113.70 124.38 43ca s SER 94 Ca -0.12 0.19 -0.00 0.00 0.48 0.00 0.00 55.95 56.50 43ca s SER 94 Cb -0.14 -1.64 0.03 0.00 0.10 0.00 0.00 66.02 64.37 43ca s SER 94 CO 0.01 0.32 -0.02 -0.31 0.98 0.00 0.00 173.24 174.22 43ca s TYR 95 N -1.08 0.68 0.00 5.02 2.02 0.46 -0.94 117.35 123.51 43ca s TYR 95 Ca 0.19 -0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 43ca s TYR 95 Cb -0.12 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.71 43ca s TYR 95 CO 0.09 -0.27 0.00 0.41 -1.57 0.00 0.00 175.55 174.21 43ca n GLY 96 N 4.68 0.75 3.88 0.71 0.00 0.15 0.42 105.19 115.78 43ca n GLY 96 Ca -0.15 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 43ca n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 43ca s TYR 97 N -2.00 3.55 0.00 1.61 2.02 -1.26 -4.27 117.35 116.99 43ca s TYR 97 Ca 0.00 0.63 0.00 0.00 -0.37 0.00 0.00 57.07 57.33 43ca s TYR 97 Cb 0.00 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 43ca s TYR 97 CO 0.00 0.52 0.00 0.41 -1.57 0.00 0.00 175.55 174.91 43ca n GLY 98 N 0.70 0.73 3.02 0.71 0.00 -1.26 -4.88 105.19 104.21 43ca n GLY 98 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 43ca n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 43ca n GLY 99 N 0.00 0.68 0.00 -0.02 0.00 -1.26 -4.98 105.19 99.61 43ca n GLY 99 Ca 0.00 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 45.06 43ca n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 43ca n ASP 100 N -1.10 0.00 -3.92 1.61 9.92 -1.26 -4.78 116.55 117.02 43ca n ASP 100 Ca -0.01 -0.30 -0.09 0.00 -0.53 0.00 0.00 54.79 53.86 43ca n ASP 100 Cb 0.45 -0.20 -0.09 0.00 -0.64 0.00 0.00 41.12 40.64 43ca n ASP 100 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 43ca s ARG 100 N -2.40 0.62 0.10 -1.24 0.52 -1.26 -5.01 118.95 110.27 43ca s ARG 100 Ca 0.29 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.72 43ca s ARG 100 Cb 0.17 0.24 -0.24 0.00 0.52 0.00 0.00 34.95 35.65 43ca s ARG 100 CO 0.36 -0.16 1.20 0.35 0.02 0.00 0.00 175.30 177.08 43ca h PHE 100 N 3.56 0.34 -4.02 -0.53 3.57 -1.87 -3.43 116.94 114.56 43ca h PHE 100 Ca -0.33 -0.24 -0.14 0.00 3.53 0.00 0.00 57.97 60.80 43ca h PHE 100 Cb 1.18 -0.02 -0.18 0.00 2.79 0.00 0.00 35.95 39.73 43ca h PHE 100 CO 0.53 1.17 -0.64 -1.54 -2.23 0.00 0.00 178.31 175.60 43ca s SER 101 N -7.00 0.31 -0.14 0.41 1.04 -1.26 0.30 113.70 107.36 43ca s SER 101 Ca -0.02 -0.69 -0.02 0.00 0.48 0.00 0.00 55.95 55.70 43ca s SER 101 Cb 0.08 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.42 43ca s SER 101 CO 0.86 -0.47 -0.01 -0.31 0.98 0.00 0.00 173.24 174.29 43ca s TYR 102 N -2.69 1.11 -0.35 5.02 2.02 -0.12 -4.97 117.35 117.36 43ca s TYR 102 Ca -0.04 -0.67 -0.17 0.00 -0.37 0.00 0.00 57.07 55.82 43ca s TYR 102 Cb -0.01 -1.04 -0.00 0.00 -0.40 0.00 0.00 41.96 40.51 43ca s TYR 102 CO -0.05 -0.51 0.47 -0.46 -1.57 0.00 0.00 175.55 173.43 43ca s TRP 103 N 1.83 3.19 1.13 2.71 -0.11 -1.26 -1.11 118.94 125.31 43ca s TRP 103 Ca 0.02 0.09 -0.18 0.00 1.22 0.00 0.00 56.10 57.25 43ca s TRP 103 Cb -0.15 -2.86 0.12 0.00 -1.50 0.00 0.00 33.47 29.08 43ca s TRP 103 CO -0.07 -0.52 0.06 0.41 -4.62 0.00 0.00 176.95 172.21 43ca n GLY 104 N 4.86 -2.48 0.25 5.86 0.00 -0.76 -4.92 105.19 108.00 43ca n GLY 104 Ca -0.06 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 43ca n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 43ca h GLN 105 N -2.11 0.86 0.00 1.61 4.20 -1.84 -3.47 115.11 114.36 43ca h GLN 105 Ca -0.54 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 57.88 43ca h GLN 105 Cb 1.36 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.07 43ca h GLN 105 CO 0.39 0.91 0.00 0.41 -0.67 0.00 0.00 178.83 179.87 43ca n GLY 106 N -0.35 2.63 2.65 3.46 0.00 -1.26 -5.05 105.19 107.27 43ca n GLY 106 Ca 0.01 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 43ca n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 43ca s THR 107 N -2.11 0.01 0.21 2.61 -1.32 -0.03 -4.65 115.64 110.35 43ca s THR 107 Ca 0.00 -0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.14 43ca s THR 107 Cb 0.00 -0.52 -0.08 0.00 -1.51 0.00 0.00 72.50 70.39 43ca s THR 107 CO 0.00 -0.12 1.19 -0.22 -2.21 0.00 0.00 174.62 173.25 43ca s LEU 108 N 2.10 4.46 -0.12 9.08 2.96 -1.26 -0.96 118.68 134.95 43ca s LEU 108 Ca 0.03 2.26 0.01 0.00 -0.22 0.00 0.00 54.13 56.21 43ca s LEU 108 Cb -0.15 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.95 43ca s LEU 108 CO -0.07 -0.34 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.79 43ca s VAL 109 N -0.28 1.44 -0.28 1.68 1.01 0.28 -3.85 120.40 120.40 43ca s VAL 109 Ca 0.51 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.94 43ca s VAL 109 Cb -0.33 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 34.78 43ca s VAL 109 CO 0.38 0.43 -0.06 -0.89 0.00 0.00 0.00 175.10 174.96 43ca s THR 110 N 1.26 2.07 -0.26 3.92 2.01 -0.58 -0.68 115.64 123.39 43ca s THR 110 Ca -0.01 -1.73 -0.18 0.00 0.31 0.00 0.00 61.69 60.08 43ca s THR 110 Cb -0.14 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 43ca s THR 110 CO -0.06 -0.18 0.50 -0.69 -0.69 0.00 0.00 174.62 173.50 43ca s VAL 111 N 1.11 5.09 0.00 3.82 1.01 -1.25 -0.07 120.40 130.10 43ca s VAL 111 Ca -0.04 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.79 43ca s VAL 111 Cb -0.20 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.37 43ca s VAL 111 CO -0.06 0.10 0.00 -1.54 0.00 0.00 0.00 175.10 173.60