#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rlh s HIS -14 N 0.00 2.52 -0.14 1.57 4.02 -1.26 -5.13 115.29 116.88 1rlh s HIS -14 Ca 0.00 -0.27 -0.04 0.00 1.02 0.00 0.00 55.06 55.77 1rlh s HIS -14 Cb 0.00 -1.22 -0.03 0.00 -1.02 0.00 0.00 32.58 30.30 1rlh s HIS -14 CO 0.00 0.53 0.01 -1.01 1.02 0.00 0.00 174.74 175.28 1rlh s HIS -13 N -1.77 3.14 -0.02 1.40 3.76 -1.26 -5.10 115.29 115.43 1rlh s HIS -13 Ca 0.24 -0.02 0.07 0.00 -0.15 0.00 0.00 55.06 55.20 1rlh s HIS -13 Cb -0.08 -1.94 -0.02 0.00 1.11 0.00 0.00 32.58 31.66 1rlh s HIS -13 CO 0.14 0.20 -0.23 -1.58 -0.85 0.00 0.00 174.74 172.42 1rlh s HIS -12 N -0.07 2.06 -0.03 1.40 2.46 -1.26 -4.84 115.29 115.01 1rlh s HIS -12 Ca 0.04 -0.41 0.06 0.00 0.47 0.00 0.00 55.06 55.22 1rlh s HIS -12 Cb -0.13 -1.33 -0.01 0.00 -0.13 0.00 0.00 32.58 30.98 1rlh s HIS -12 CO 0.02 -0.05 -0.20 -1.01 -2.47 0.00 0.00 174.74 171.03 1rlh s HIS -11 N -0.50 1.92 -1.05 3.88 3.76 -1.26 -5.01 115.29 117.02 1rlh s HIS -11 Ca 0.08 -0.47 0.06 0.00 -0.15 0.00 0.00 55.06 54.58 1rlh s HIS -11 Cb -0.09 -1.26 0.25 0.00 1.11 0.00 0.00 32.58 32.59 1rlh s HIS -11 CO -0.01 -0.11 1.16 0.72 -0.85 0.00 0.00 174.74 175.65 1rlh n HIS -10 N 2.83 0.00 0.98 1.40 -0.00 -1.26 -1.49 115.22 117.68 1rlh n HIS -10 Ca -0.17 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.69 1rlh n HIS -10 Cb 0.53 -0.47 0.54 0.00 -0.00 0.00 0.00 29.99 30.58 1rlh n HIS -10 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1rlh n SER -9 N -1.47 0.14 -4.82 0.41 3.41 -1.26 -4.87 113.62 105.15 1rlh n SER -9 Ca 0.02 0.37 -0.32 0.00 -0.26 0.00 0.00 58.87 58.67 1rlh n SER -9 Cb 0.06 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 63.62 1rlh n SER -9 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1rlh s SER -8 N -3.09 6.22 0.00 4.04 0.01 -0.56 -4.89 113.70 115.43 1rlh s SER -8 Ca 0.13 1.68 0.00 0.00 1.31 0.00 0.00 55.95 59.07 1rlh s SER -8 Cb 0.18 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.89 1rlh s SER -8 CO 0.57 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.96 1rlh n GLY -7 N -1.32 0.84 3.71 3.44 0.00 0.65 -4.93 105.19 107.58 1rlh n GLY -7 Ca 0.08 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1rlh n GLY -7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1rlh n LEU -6 N 0.00 3.97 -4.60 0.99 0.00 -1.26 -0.23 117.00 115.86 1rlh n LEU -6 Ca 0.00 1.06 -0.43 0.00 0.00 0.00 0.00 56.01 56.64 1rlh n LEU -6 Cb 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 43.42 41.83 1rlh n LEU -6 CO 0.00 0.17 1.06 -0.69 0.00 0.00 0.00 177.39 177.92 1rlh s VAL -5 N 1.29 4.17 0.14 1.96 1.01 -0.33 -4.87 120.40 123.76 1rlh s VAL -5 Ca 0.76 1.21 -0.18 0.00 0.00 0.00 0.00 61.98 63.76 1rlh s VAL -5 Cb -0.51 -4.53 0.04 0.00 0.00 0.00 0.00 36.38 31.38 1rlh s VAL -5 CO 0.33 -0.94 1.12 -2.65 0.00 0.00 0.00 175.10 172.96 1rlh n PRO -4 N 7.83 -0.26 -3.44 2.72 -0.02 -1.26 -3.75 135.00 136.82 1rlh n PRO -4 Ca 0.13 1.10 -0.43 0.00 -2.02 0.00 0.00 63.50 62.28 1rlh n PRO -4 Cb 0.49 -1.63 -0.08 0.00 -0.02 0.00 0.00 33.50 32.26 1rlh n PRO -4 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1rlh s ARG -3 N -5.50 2.87 0.98 -0.52 0.52 -1.26 -5.06 118.95 110.98 1rlh s ARG -3 Ca -0.09 -1.42 -0.15 0.00 -0.52 0.00 0.00 55.73 53.54 1rlh s ARG -3 Cb 0.11 -4.05 -0.08 0.00 0.52 0.00 0.00 34.95 31.45 1rlh s ARG -3 CO 0.48 -1.04 -0.33 0.41 0.02 0.00 0.00 175.30 174.84 1rlh n GLY -2 N 5.12 -3.63 3.63 -3.53 0.00 -1.25 -4.87 105.19 100.67 1rlh n GLY -2 Ca -0.12 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 1rlh n GLY -2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rlh s SER -1 N -1.39 6.68 0.18 1.61 0.01 0.50 -4.81 113.70 116.48 1rlh s SER -1 Ca 0.47 0.80 -0.30 0.00 1.31 0.00 0.00 55.95 58.22 1rlh s SER -1 Cb -0.20 -2.39 -0.08 0.00 0.21 0.00 0.00 66.02 63.57 1rlh s SER -1 CO 0.77 -0.48 1.03 -1.00 0.41 0.00 0.00 173.24 173.97 1rlh s HIS 0 N 2.72 3.73 0.02 2.43 3.76 -1.26 0.08 115.29 126.76 1rlh s HIS 0 Ca 0.30 1.72 -0.17 0.00 -0.15 0.00 0.00 55.06 56.76 1rlh s HIS 0 Cb -0.15 -3.16 -0.06 0.00 1.11 0.00 0.00 32.58 30.32 1rlh s HIS 0 CO 0.09 -0.18 0.50 -1.64 -0.85 0.00 0.00 174.74 172.66 1rlh s MET 1 N -0.53 4.10 -0.34 1.40 -1.94 0.02 -4.94 119.30 117.07 1rlh s MET 1 Ca 0.47 0.58 -0.27 0.00 -1.71 0.00 0.00 55.69 54.75 1rlh s MET 1 Cb -0.27 -3.26 0.01 0.00 2.01 0.00 0.00 34.83 33.33 1rlh s MET 1 CO 0.34 0.60 0.98 0.08 -0.01 0.00 0.00 175.02 177.00 1rlh s VAL 2 N -0.88 4.57 -0.34 -6.03 1.01 -1.26 -4.68 120.40 112.79 1rlh s VAL 2 Ca 0.27 1.44 0.02 0.00 0.00 0.00 0.00 61.98 63.70 1rlh s VAL 2 Cb -0.18 -4.35 0.10 0.00 0.00 0.00 0.00 36.38 31.95 1rlh s VAL 2 CO 0.16 -0.48 0.09 -0.63 0.00 0.00 0.00 175.10 174.23 1rlh s ILE 3 N 3.50 1.69 0.68 2.22 1.01 -1.26 -4.85 121.20 124.19 1rlh s ILE 3 Ca 0.41 -2.02 -0.17 0.00 0.00 0.00 0.00 60.65 58.87 1rlh s ILE 3 Cb -0.12 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1rlh s ILE 3 CO 0.17 -0.65 1.04 -2.65 0.00 0.00 0.00 174.94 172.84 1rlh n PRO 4 N 4.41 0.73 -1.52 2.79 -0.02 -1.26 -4.82 135.00 135.30 1rlh n PRO 4 Ca 0.02 0.30 -0.54 0.00 -2.02 0.00 0.00 63.50 61.26 1rlh n PRO 4 Cb 0.41 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.56 1rlh n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rlh n ALA 5 N -2.20 -2.37 -1.06 3.55 0.00 -1.26 -1.12 120.51 116.06 1rlh n ALA 5 Ca 0.14 0.53 -0.02 0.00 0.00 0.00 0.00 53.44 54.09 1rlh n ALA 5 Cb 0.49 -1.86 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 1rlh n ALA 5 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rlh n GLU 6 N 1.69 -1.48 -3.41 0.00 1.02 -1.26 -4.99 120.64 112.20 1rlh n GLU 6 Ca 0.18 0.46 -0.30 0.00 -0.02 0.00 0.00 57.16 57.48 1rlh n GLU 6 Cb 0.16 -4.62 -0.04 0.00 -0.02 0.00 0.00 31.44 26.93 1rlh n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rlh s ALA 7 N -1.40 3.63 -0.08 0.62 0.00 -0.27 -4.52 121.76 119.74 1rlh s ALA 7 Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1rlh s ALA 7 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 1rlh s ALA 7 CO 0.00 0.40 -0.09 -0.80 0.00 0.00 0.00 175.76 175.27 1rlh s ASN 8 N -2.77 4.41 0.06 0.00 -0.87 0.60 -4.68 114.94 111.69 1rlh s ASN 8 Ca 0.45 -0.11 0.08 0.00 -1.57 0.00 0.00 52.86 51.71 1rlh s ASN 8 Cb -0.11 -1.17 -0.03 0.00 -0.02 0.00 0.00 41.25 39.92 1rlh s ASN 8 CO 0.26 0.32 -0.22 -0.51 -2.57 0.00 0.00 177.10 174.39 1rlh s ILE 9 N -0.57 2.54 -0.08 0.60 2.07 -0.19 -0.59 121.20 124.98 1rlh s ILE 9 Ca 0.08 -1.34 0.01 0.00 -1.41 0.00 0.00 60.65 58.00 1rlh s ILE 9 Cb -0.12 -2.06 0.02 0.00 0.13 0.00 0.00 42.46 40.43 1rlh s ILE 9 CO 0.02 0.30 -0.09 -0.63 -1.91 0.00 0.00 174.94 172.62 1rlh s ILE 10 N -0.92 1.03 -0.09 2.00 1.01 0.23 -1.47 121.20 122.99 1rlh s ILE 10 Ca 0.14 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.46 1rlh s ILE 10 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.37 1rlh s ILE 10 CO 0.05 0.35 -0.21 -0.69 0.00 0.00 0.00 174.94 174.44 1rlh s VAL 11 N 1.15 1.83 0.21 2.92 1.01 -0.14 -0.37 120.40 127.01 1rlh s VAL 11 Ca -0.06 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 1rlh s VAL 11 Cb -0.14 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1rlh s VAL 11 CO -0.02 0.51 0.33 0.61 0.00 0.00 0.00 175.10 176.53 1rlh n GLY 12 N 3.60 2.24 3.17 4.51 0.00 -0.37 0.34 105.19 118.68 1rlh n GLY 12 Ca -0.20 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 1rlh n GLY 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rlh s TYR 13 N -4.16 2.74 0.41 1.61 5.04 0.44 -1.23 117.35 122.21 1rlh s TYR 13 Ca 0.15 -1.42 -0.20 0.00 -2.44 0.00 0.00 57.07 53.16 1rlh s TYR 13 Cb -0.01 -1.88 -0.11 0.00 0.35 0.00 0.00 41.96 40.31 1rlh s TYR 13 CO 0.11 -0.68 0.90 -1.54 -1.34 0.00 0.00 175.55 173.00 1rlh s SER 14 N 1.05 6.90 -0.32 4.32 1.04 -0.18 -0.14 113.70 126.37 1rlh s SER 14 Ca -0.01 1.60 -0.06 0.00 0.48 0.00 0.00 55.95 57.95 1rlh s SER 14 Cb -0.14 -2.50 0.03 0.00 0.10 0.00 0.00 66.02 63.50 1rlh s SER 14 CO -0.06 -0.33 0.09 -1.00 0.98 0.00 0.00 173.24 172.92 1rlh s HIS 15 N -2.14 3.21 -1.46 5.02 0.09 0.00 -4.65 115.29 115.37 1rlh s HIS 15 Ca 0.60 -1.27 0.00 0.00 -0.00 0.00 0.00 55.06 54.39 1rlh s HIS 15 Cb -0.09 -2.26 0.00 0.00 -0.00 0.00 0.00 32.58 30.23 1rlh s HIS 15 CO 0.14 -0.68 0.00 1.19 -0.00 0.00 0.00 174.74 175.40 1rlh n PHE 16 N 4.83 -0.46 -3.11 1.40 3.01 -1.26 -4.87 117.46 117.00 1rlh n PHE 16 Ca -0.13 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.93 1rlh n PHE 16 Cb 0.46 -2.71 -0.05 0.00 -0.01 0.00 0.00 39.48 37.16 1rlh n PHE 16 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1rlh s ILE 17 N -2.26 4.77 -0.02 4.37 -1.09 -1.26 -4.95 121.20 120.76 1rlh s ILE 17 Ca 0.00 1.43 0.10 0.00 -2.23 0.00 0.00 60.65 59.94 1rlh s ILE 17 Cb 0.00 -4.01 -0.15 0.00 -1.58 0.00 0.00 42.46 36.72 1rlh s ILE 17 CO 0.00 0.43 0.21 0.29 -1.23 0.00 0.00 174.94 174.64 1rlh n LYS 18 N 2.52 0.33 -4.16 2.79 5.02 -1.26 -4.99 118.16 118.41 1rlh n LYS 18 Ca -0.06 -0.09 -0.16 0.00 -2.02 0.00 0.00 58.31 55.99 1rlh n LYS 18 Cb 0.50 -1.22 -0.13 0.00 -0.02 0.00 0.00 35.03 34.17 1rlh n LYS 18 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1rlh s THR 19 N -2.65 0.69 -0.66 -0.18 -1.32 -1.26 -4.97 115.64 105.29 1rlh s THR 19 Ca -0.03 -0.89 0.21 0.00 -1.21 0.00 0.00 61.69 59.76 1rlh s THR 19 Cb 0.06 -0.68 0.21 0.00 -1.51 0.00 0.00 72.50 70.57 1rlh s THR 19 CO 0.40 -0.17 1.63 0.55 -2.21 0.00 0.00 174.62 174.82 1rlh n VAL 20 N 1.87 0.88 0.05 5.08 3.14 -1.26 -2.79 118.33 125.30 1rlh n VAL 20 Ca -0.19 0.23 0.02 0.00 -2.96 0.00 0.00 64.34 61.44 1rlh n VAL 20 Cb 0.55 -1.10 0.38 0.00 -1.06 0.00 0.00 33.84 32.61 1rlh n VAL 20 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 1rlh h GLU 21 N 0.00 0.41 -0.40 1.45 4.11 -1.95 -0.21 114.58 117.98 1rlh h GLU 21 Ca 0.00 -0.07 0.03 0.00 0.07 0.00 0.00 59.36 59.39 1rlh h GLU 21 Cb 0.33 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1rlh h GLU 21 CO 0.00 0.41 0.21 -0.44 0.07 0.00 0.00 179.01 179.27 1rlh h ASP 22 N 0.40 0.32 -0.27 3.06 5.19 -1.96 0.77 116.42 123.94 1rlh h ASP 22 Ca 0.09 0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.41 1rlh h ASP 22 Cb 0.22 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 1rlh h ASP 22 CO 0.00 0.23 -0.24 -0.07 -3.12 0.00 0.00 179.24 176.04 1rlh h LEU 23 N 0.43 0.68 -0.94 1.55 3.38 -1.60 -1.32 115.31 117.48 1rlh h LEU 23 Ca 0.17 -0.46 0.08 0.00 0.09 0.00 0.00 57.88 57.76 1rlh h LEU 23 Cb 0.05 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 1rlh h LEU 23 CO -0.10 1.00 0.59 -1.13 0.09 0.00 0.00 178.44 178.88 1rlh h ASN 24 N 0.36 0.90 0.04 -0.43 -0.00 -0.67 -2.57 115.58 113.22 1rlh h ASN 24 Ca 0.05 0.03 -0.15 0.00 -0.00 0.00 0.00 56.30 56.22 1rlh h ASN 24 Cb 0.80 -0.16 0.01 0.00 -0.00 0.00 0.00 38.32 38.98 1rlh h ASN 24 CO 0.06 0.54 -0.61 -0.08 -0.00 0.00 0.00 177.43 177.34 1rlh h GLU 25 N 1.02 0.35 0.00 6.67 4.57 -0.78 -2.24 114.58 124.17 1rlh h GLU 25 Ca 0.43 -0.43 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1rlh h GLU 25 Cb 0.28 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1rlh h GLU 25 CO -0.21 1.12 -0.01 0.97 -1.18 0.00 0.00 179.01 179.70 1rlh h ILE 26 N -0.24 0.72 -0.02 2.32 2.10 -1.08 -1.93 117.51 119.38 1rlh h ILE 26 Ca -0.09 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.80 1rlh h ILE 26 Cb 1.37 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 38.13 1rlh h ILE 26 CO 0.12 0.01 -0.06 2.30 -1.08 0.00 0.00 178.15 179.44 1rlh n ILE 27 N -4.09 0.00 -0.08 2.19 -5.35 -0.98 -4.66 119.36 106.38 1rlh n ILE 27 Ca -0.03 -0.47 -0.06 0.00 -0.27 0.00 0.00 62.75 61.92 1rlh n ILE 27 Cb 0.10 1.29 -0.00 0.00 -1.74 0.00 0.00 39.64 39.28 1rlh n ILE 27 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1rlh h ARG 28 N 2.70 -0.03 0.00 6.28 2.43 -0.70 -1.43 114.38 123.63 1rlh h ARG 28 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1rlh h ARG 28 Cb 0.60 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1rlh h ARG 28 CO 0.00 -0.02 0.00 1.79 -1.51 0.00 0.00 179.97 180.23 1rlh h THR 29 N -0.03 0.00 0.00 0.20 1.35 -1.83 -2.70 112.91 109.90 1rlh h THR 29 Ca 0.16 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1rlh h THR 29 Cb 0.27 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1rlh h THR 29 CO -0.34 0.00 -1.22 1.41 -0.25 0.00 0.00 175.52 175.12 1rlh n HIS 30 N -2.89 0.56 0.57 4.73 8.25 -0.61 -4.22 115.22 121.61 1rlh n HIS 30 Ca -0.01 0.16 0.11 0.00 -0.26 0.00 0.00 57.72 57.73 1rlh n HIS 30 Cb 0.19 -0.71 0.16 0.00 1.12 0.00 0.00 29.99 30.75 1rlh n HIS 30 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1rlh n VAL 31 N -2.38 0.29 -1.78 1.59 0.24 -0.79 -4.75 118.33 110.76 1rlh n VAL 31 Ca -0.00 -0.65 -0.41 0.00 -2.04 0.00 0.00 64.34 61.24 1rlh n VAL 31 Cb 0.52 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 1rlh n VAL 31 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1rlh n PRO 32 N 1.37 2.63 0.00 7.34 -0.02 -1.17 -1.47 135.00 143.68 1rlh n PRO 32 Ca 0.16 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 1rlh n PRO 32 Cb 0.58 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1rlh n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rlh n GLY 33 N 0.46 2.43 3.75 -1.23 0.00 -1.26 -5.00 105.19 104.33 1rlh n GLY 33 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1rlh n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rlh s SER 34 N -3.43 4.40 -0.13 1.61 1.04 -0.54 -4.94 113.70 111.71 1rlh s SER 34 Ca 0.00 -1.13 -0.05 0.00 0.48 0.00 0.00 55.95 55.25 1rlh s SER 34 Cb 0.00 -0.38 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 1rlh s SER 34 CO 0.00 -0.59 0.06 -0.54 0.98 0.00 0.00 173.24 173.15 1rlh s LYS 35 N -3.92 3.42 0.24 4.02 -0.14 -0.68 -4.98 119.74 117.70 1rlh s LYS 35 Ca 0.39 -0.31 -0.13 0.00 -1.36 0.00 0.00 55.97 54.55 1rlh s LYS 35 Cb 0.04 -3.03 -0.00 0.00 -1.68 0.00 0.00 37.83 33.16 1rlh s LYS 35 CO 0.21 0.59 0.48 1.52 -0.76 0.00 0.00 175.35 177.39 1rlh s TYR 36 N -0.53 0.30 0.00 3.18 -0.85 -1.26 -0.67 117.35 117.52 1rlh s TYR 36 Ca 0.10 -0.66 -0.16 0.00 -0.52 0.00 0.00 57.07 55.83 1rlh s TYR 36 Cb -0.12 0.22 0.03 0.00 0.38 0.00 0.00 41.96 42.46 1rlh s TYR 36 CO 0.02 -0.98 0.33 0.20 -1.52 0.00 0.00 175.55 173.60 1rlh s GLY 37 N -3.00 -0.17 -0.01 5.49 0.00 -0.39 -1.77 107.32 107.46 1rlh s GLY 37 Ca 0.20 0.30 0.01 0.00 0.00 0.00 0.00 44.72 45.23 1rlh s GLY 37 CO 0.07 0.07 -0.01 -0.42 0.00 0.00 0.00 173.10 172.82 1rlh s ILE 38 N -1.68 0.17 0.00 0.90 1.01 0.40 -1.55 121.20 120.45 1rlh s ILE 38 Ca -0.11 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.60 1rlh s ILE 38 Cb -0.04 -0.20 -0.02 0.00 0.01 0.00 0.00 42.46 42.21 1rlh s ILE 38 CO 0.02 0.09 -0.21 -0.83 0.00 0.00 0.00 174.94 174.01 1rlh s GLY 39 N 0.44 1.07 -0.02 6.18 0.00 0.87 -2.07 107.32 113.79 1rlh s GLY 39 Ca -0.04 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1rlh s GLY 39 CO -0.01 -0.84 0.02 -0.12 0.00 0.00 0.00 173.10 172.15 1rlh s PHE 40 N -0.60 0.15 -0.78 1.90 5.36 0.71 -0.74 117.98 123.98 1rlh s PHE 40 Ca 0.08 0.07 -0.18 0.00 -0.96 0.00 0.00 56.93 55.94 1rlh s PHE 40 Cb -0.08 -0.30 0.14 0.00 -0.34 0.00 0.00 43.02 42.43 1rlh s PHE 40 CO 0.00 -0.10 0.90 0.45 -1.46 0.00 0.00 175.22 175.01 1rlh s SER 41 N 1.02 6.48 0.11 6.13 0.15 0.16 -0.37 113.70 127.39 1rlh s SER 41 Ca -0.09 -1.92 -0.32 0.00 0.70 0.00 0.00 55.95 54.32 1rlh s SER 41 Cb -0.13 -2.33 -0.11 0.00 -1.71 0.00 0.00 66.02 61.74 1rlh s SER 41 CO -0.02 -1.00 1.81 1.21 1.20 0.00 0.00 173.24 176.44 1rlh n GLU 42 N 5.97 2.67 0.00 5.44 2.13 -1.00 -0.53 120.64 135.32 1rlh n GLU 42 Ca 0.09 0.97 0.12 0.00 0.66 0.00 0.00 57.16 59.00 1rlh n GLU 42 Cb 0.46 -2.84 0.26 0.00 0.27 0.00 0.00 31.44 29.59 1rlh n GLU 42 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rlh n ALA 43 N 5.41 3.50 -3.29 4.31 0.00 -1.26 -4.24 120.51 124.94 1rlh n ALA 43 Ca 0.18 -0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.21 1rlh n ALA 43 Cb 0.35 -1.10 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 1rlh n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1rlh n SER 44 N -1.27 -0.50 0.00 0.00 3.41 -1.26 -4.93 113.62 109.06 1rlh n SER 44 Ca 0.07 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 1rlh n SER 44 Cb 0.34 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.18 1rlh n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rlh n GLY 45 N -0.17 4.07 0.27 5.00 0.00 -1.26 -1.41 105.19 111.69 1rlh n GLY 45 Ca -0.01 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1rlh n GLY 45 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rlh h ASP 46 N 0.00 0.00 -6.28 1.61 3.32 -1.98 -3.46 116.42 109.63 1rlh h ASP 46 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1rlh h ASP 46 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1rlh h ASP 46 CO 0.00 0.10 -0.75 0.54 -1.72 0.00 0.00 179.24 177.40 1rlh n ARG 47 N -3.37 -5.49 -3.88 3.56 1.74 -0.50 -4.97 116.66 103.75 1rlh n ARG 47 Ca -0.01 0.60 -0.29 0.00 -0.77 0.00 0.00 57.85 57.38 1rlh n ARG 47 Cb 0.27 -5.49 -0.04 0.00 -1.02 0.00 0.00 32.46 26.19 1rlh n ARG 47 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rlh s LEU 48 N -7.28 4.33 -0.11 0.55 1.43 -1.26 -4.79 118.68 111.55 1rlh s LEU 48 Ca 0.67 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.74 1rlh s LEU 48 Cb -0.33 -3.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 1rlh s LEU 48 CO 0.82 0.09 1.08 -0.63 0.23 0.00 0.00 176.35 177.94 1rlh s ILE 49 N -1.66 4.60 0.11 -0.59 1.01 -1.26 -2.37 121.20 121.03 1rlh s ILE 49 Ca 0.36 1.89 0.04 0.00 0.00 0.00 0.00 60.65 62.94 1rlh s ILE 49 Cb -0.12 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 1rlh s ILE 49 CO 0.28 -0.02 0.06 -0.13 0.00 0.00 0.00 174.94 175.13 1rlh s ARG 50 N 2.27 2.75 0.19 2.79 1.81 0.50 -4.93 118.95 124.34 1rlh s ARG 50 Ca 0.50 -0.80 -0.13 0.00 -1.72 0.00 0.00 55.73 53.58 1rlh s ARG 50 Cb -0.20 -2.63 0.01 0.00 -0.45 0.00 0.00 34.95 31.68 1rlh s ARG 50 CO 0.18 0.53 0.43 1.52 -0.68 0.00 0.00 175.30 177.27 1rlh s TYR 51 N -1.47 0.16 0.20 -0.53 -0.85 -1.26 -0.21 117.35 113.40 1rlh s TYR 51 Ca 0.28 -0.52 -0.23 0.00 -0.52 0.00 0.00 57.07 56.09 1rlh s TYR 51 Cb -0.11 0.19 0.05 0.00 0.38 0.00 0.00 41.96 42.46 1rlh s TYR 51 CO 0.21 -0.86 0.73 -0.51 -1.52 0.00 0.00 175.55 173.60 1rlh s ASP 52 N -2.94 -0.35 0.00 -0.18 1.01 -0.88 -4.99 116.67 108.34 1rlh s ASP 52 Ca 0.15 -0.35 0.00 0.00 0.71 0.00 0.00 52.55 53.06 1rlh s ASP 52 Cb 0.01 0.63 0.00 0.00 1.01 0.00 0.00 42.92 44.57 1rlh s ASP 52 CO 0.00 -1.11 0.00 0.61 0.21 0.00 0.00 175.17 174.88 1rlh n GLY 53 N -0.42 0.23 0.16 0.21 0.00 -1.26 -0.46 105.19 103.65 1rlh n GLY 53 Ca -0.09 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.33 1rlh n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rlh n ASN 54 N 0.00 1.18 -3.64 1.61 0.23 -0.73 -4.99 115.26 108.91 1rlh n ASN 54 Ca 0.00 -2.15 -0.20 0.00 -0.53 0.00 0.00 54.58 51.70 1rlh n ASN 54 Cb 0.00 -0.19 -0.17 0.00 -2.08 0.00 0.00 39.78 37.34 1rlh n ASN 54 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1rlh s ASP 55 N -1.40 1.31 0.22 0.53 -1.08 -1.20 -4.82 116.67 110.24 1rlh s ASP 55 Ca 0.10 -0.02 -0.08 0.00 -0.52 0.00 0.00 52.55 52.03 1rlh s ASP 55 Cb 0.09 -0.02 0.27 0.00 -1.46 0.00 0.00 42.92 41.80 1rlh s ASP 55 CO 0.01 -0.28 1.84 0.44 0.52 0.00 0.00 175.17 177.70 1rlh h ASP 56 N 8.41 0.72 -0.65 -0.34 3.32 -1.94 -0.31 116.42 125.63 1rlh h ASP 56 Ca -0.13 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1rlh h ASP 56 Cb 1.13 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 1rlh h ASP 56 CO 0.19 0.47 0.18 0.44 -1.72 0.00 0.00 179.24 178.79 1rlh h ASP 57 N 0.85 0.96 -0.31 6.45 3.32 -1.97 -0.50 116.42 125.22 1rlh h ASP 57 Ca 0.33 -0.22 -0.18 0.00 0.02 0.00 0.00 57.03 56.98 1rlh h ASP 57 Cb 0.14 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1rlh h ASP 57 CO -0.16 0.93 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.71 1rlh h LEU 58 N 0.94 0.99 -0.41 1.55 3.38 -1.82 -2.10 115.31 117.84 1rlh h LEU 58 Ca 0.21 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1rlh h LEU 58 Cb 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1rlh h LEU 58 CO -0.00 1.31 0.17 0.58 0.09 0.00 0.00 178.44 180.59 1rlh h VAL 59 N 0.69 1.19 -0.57 1.22 2.07 -0.93 -0.89 116.25 119.03 1rlh h VAL 59 Ca 0.03 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1rlh h VAL 59 Cb 1.11 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1rlh h VAL 59 CO 0.12 0.21 0.21 0.11 0.02 0.00 0.00 177.57 178.24 1rlh h LYS 60 N 0.53 0.84 -0.50 1.57 1.57 -1.06 -1.07 116.57 118.45 1rlh h LYS 60 Ca 0.14 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1rlh h LYS 60 Cb 0.17 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1rlh h LYS 60 CO -0.01 0.70 -0.17 0.00 -0.57 0.00 0.00 179.45 179.40 1rlh h ALA 61 N 1.41 0.76 -0.64 3.86 0.00 -1.06 -1.44 119.26 122.15 1rlh h ALA 61 Ca 0.19 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1rlh h ALA 61 Cb 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1rlh h ALA 61 CO -0.02 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.10 1rlh h ILE 63 N 0.93 1.17 -0.78 0.00 2.04 -1.07 -1.37 117.51 118.43 1rlh h ILE 63 Ca 0.21 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1rlh h ILE 63 Cb 0.30 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1rlh h ILE 63 CO -0.01 0.18 0.45 -0.08 0.00 0.00 0.00 178.15 178.70 1rlh h GLU 64 N 0.27 1.08 -0.65 2.37 4.57 -1.04 -0.99 114.58 120.19 1rlh h GLU 64 Ca 0.09 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 1rlh h GLU 64 Cb 0.18 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 1rlh h GLU 64 CO -0.01 0.78 0.16 -0.91 -1.18 0.00 0.00 179.01 177.85 1rlh h ASN 65 N 1.08 0.97 -0.77 1.04 2.35 -0.87 -0.44 115.58 118.95 1rlh h ASN 65 Ca 0.28 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1rlh h ASN 65 Cb -0.00 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 1rlh h ASN 65 CO -0.05 0.95 0.30 0.40 -1.65 0.00 0.00 177.43 177.38 1rlh h ILE 66 N 0.95 1.26 -0.55 2.81 1.08 -0.92 -1.92 117.51 120.21 1rlh h ILE 66 Ca 0.20 -0.82 -0.03 0.00 -0.39 0.00 0.00 64.86 63.83 1rlh h ILE 66 Cb 0.35 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 1rlh h ILE 66 CO 0.00 0.33 0.24 -0.09 -0.69 0.00 0.00 178.15 177.94 1rlh h ARG 67 N 1.11 0.81 -0.75 2.37 2.43 -0.74 -0.03 114.38 119.59 1rlh h ARG 67 Ca 0.25 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1rlh h ARG 67 Cb 0.22 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1rlh h ARG 67 CO -0.02 0.69 0.26 0.00 -1.51 0.00 0.00 179.97 179.39 1rlh h ARG 68 N 0.75 1.14 -0.15 0.20 3.08 -0.78 -3.08 114.38 115.54 1rlh h ARG 68 Ca 0.19 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 1rlh h ARG 68 Cb 0.16 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1rlh h ARG 68 CO -0.02 0.96 -0.30 0.82 -1.07 0.00 0.00 179.97 180.36 1rlh h ILE 69 N 1.10 1.36 -6.37 2.04 2.04 -1.19 -3.48 117.51 113.00 1rlh h ILE 69 Ca 0.24 -1.55 -0.48 0.00 1.00 0.00 0.00 64.86 64.07 1rlh h ILE 69 Cb 0.28 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 1rlh h ILE 69 CO -0.01 0.47 -0.79 -0.24 0.00 0.00 0.00 178.15 177.57 1rlh n SER 70 N -4.38 -3.82 -4.16 1.72 2.88 -0.04 -4.71 113.62 101.11 1rlh n SER 70 Ca -0.06 -0.84 -0.31 0.00 -1.33 0.00 0.00 58.87 56.32 1rlh n SER 70 Cb 0.47 -3.65 -0.17 0.00 -0.75 0.00 0.00 64.21 60.12 1rlh n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rlh s ALA 71 N -3.39 2.10 0.31 -1.46 0.00 -1.26 -2.04 121.76 116.03 1rlh s ALA 71 Ca 0.56 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 51.25 1rlh s ALA 71 Cb -0.28 -0.91 -0.13 0.00 0.00 0.00 0.00 23.12 21.80 1rlh s ALA 71 CO 0.85 0.05 1.18 0.41 0.00 0.00 0.00 175.76 178.25 1rlh n GLY 72 N 3.95 0.24 2.41 0.00 0.00 -1.26 -2.49 105.19 108.04 1rlh n GLY 72 Ca -0.20 0.33 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1rlh n GLY 72 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rlh n HIS 73 N 0.36 0.00 -3.01 1.61 8.25 0.31 -4.93 115.22 117.82 1rlh n HIS 73 Ca 0.07 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.18 1rlh n HIS 73 Cb 0.34 -1.79 -0.06 0.00 1.12 0.00 0.00 29.99 29.60 1rlh n HIS 73 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1rlh s THR 74 N -2.09 4.50 0.04 1.59 2.01 -1.04 -1.01 115.64 119.64 1rlh s THR 74 Ca 0.00 1.34 0.03 0.00 0.31 0.00 0.00 61.69 63.38 1rlh s THR 74 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1rlh s THR 74 CO 0.00 0.05 -0.10 0.72 -0.69 0.00 0.00 174.62 174.59 1rlh s PHE 75 N -1.72 0.91 -0.06 4.92 -0.12 -0.36 -0.67 117.98 120.88 1rlh s PHE 75 Ca 0.49 -0.37 0.01 0.00 -0.05 0.00 0.00 56.93 57.01 1rlh s PHE 75 Cb -0.15 -0.54 0.02 0.00 -0.63 0.00 0.00 43.02 41.72 1rlh s PHE 75 CO 0.20 -0.01 -0.07 0.08 -0.05 0.00 0.00 175.22 175.37 1rlh s VAL 76 N -0.96 0.77 -0.04 -2.49 1.01 0.08 -1.23 120.40 117.54 1rlh s VAL 76 Ca -0.03 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.76 1rlh s VAL 76 Cb -0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1rlh s VAL 76 CO 0.01 0.28 -0.20 -0.63 0.00 0.00 0.00 175.10 174.56 1rlh s ILE 77 N 0.93 1.65 -0.09 2.22 1.01 0.50 -0.09 121.20 127.33 1rlh s ILE 77 Ca -0.11 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.72 1rlh s ILE 77 Cb -0.15 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 40.93 1rlh s ILE 77 CO 0.01 0.47 -0.17 -0.76 0.00 0.00 0.00 174.94 174.49 1rlh s LEU 78 N -0.09 1.82 -0.04 2.97 1.43 -0.60 -0.60 118.68 123.57 1rlh s LEU 78 Ca -0.02 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1rlh s LEU 78 Cb -0.12 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 45.01 1rlh s LEU 78 CO 0.02 0.07 -0.11 -0.63 0.23 0.00 0.00 176.35 175.93 1rlh s ILE 79 N 0.66 1.00 0.08 -0.59 1.01 0.24 -1.26 121.20 122.34 1rlh s ILE 79 Ca -0.14 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.11 1rlh s ILE 79 Cb -0.16 -0.90 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1rlh s ILE 79 CO 0.04 0.31 -0.13 -0.60 0.00 0.00 0.00 174.94 174.55 1rlh s ARG 80 N 0.32 0.85 -1.15 2.79 3.52 0.15 -0.29 118.95 125.14 1rlh s ARG 80 Ca -0.07 -1.03 -0.04 0.00 -0.13 0.00 0.00 55.73 54.46 1rlh s ARG 80 Cb -0.11 -0.79 0.00 0.00 -1.56 0.00 0.00 34.95 32.49 1rlh s ARG 80 CO 0.02 0.16 0.99 0.09 -0.81 0.00 0.00 175.30 175.75 1rlh n ASN 81 N 1.06 -4.17 -4.15 -2.12 5.03 -1.26 -1.68 115.26 107.96 1rlh n ASN 81 Ca -0.20 -0.52 -0.22 0.00 0.87 0.00 0.00 54.58 54.52 1rlh n ASN 81 Cb 0.55 -4.61 -0.14 0.00 -1.02 0.00 0.00 39.78 34.56 1rlh n ASN 81 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rlh s ALA 82 N -3.30 1.28 0.72 5.41 0.00 -1.26 -4.31 121.76 120.30 1rlh s ALA 82 Ca 0.29 -0.78 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 1rlh s ALA 82 Cb -0.13 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.76 1rlh s ALA 82 CO 0.65 0.28 1.10 0.71 0.00 0.00 0.00 175.76 178.50 1rlh s TYR 83 N -0.63 2.62 0.21 0.00 1.51 -1.26 -4.87 117.35 114.93 1rlh s TYR 83 Ca 0.04 1.55 -0.10 0.00 -1.01 0.00 0.00 57.07 57.55 1rlh s TYR 83 Cb -0.07 -3.09 0.29 0.00 -0.11 0.00 0.00 41.96 38.98 1rlh s TYR 83 CO 0.01 -1.72 1.69 -1.35 -1.11 0.00 0.00 175.55 173.06 1rlh h PRO 84 N -0.64 0.20 -0.23 -1.71 0.11 -2.00 -2.25 132.00 125.47 1rlh h PRO 84 Ca -0.45 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1rlh h PRO 84 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1rlh h PRO 84 CO 0.53 0.13 -0.01 0.97 -0.21 0.00 0.00 178.00 179.41 1rlh h ILE 85 N 0.20 1.15 -0.40 4.15 6.09 -1.99 -1.08 117.51 125.64 1rlh h ILE 85 Ca 0.31 -0.59 -0.15 0.00 -1.37 0.00 0.00 64.86 63.07 1rlh h ILE 85 Cb 0.48 0.98 -0.01 0.00 0.47 0.00 0.00 36.82 38.75 1rlh h ILE 85 CO -0.44 0.20 -0.33 0.78 -3.07 0.00 0.00 178.15 175.29 1rlh h ASN 86 N 0.34 0.94 -0.13 2.19 4.21 -1.71 -0.30 115.58 121.11 1rlh h ASN 86 Ca 0.08 -0.40 -0.02 0.00 1.21 0.00 0.00 56.30 57.17 1rlh h ASN 86 Cb 0.24 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 37.17 1rlh h ASN 86 CO 0.01 1.18 0.01 0.40 -1.29 0.00 0.00 177.43 177.74 1rlh h ILE 87 N 0.75 1.24 -0.71 2.81 1.08 -1.17 -1.11 117.51 120.39 1rlh h ILE 87 Ca 0.08 -0.76 0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1rlh h ILE 87 Cb 0.90 1.48 -0.04 0.00 -3.07 0.00 0.00 36.82 36.10 1rlh h ILE 87 CO 0.08 0.22 0.46 -0.07 -0.69 0.00 0.00 178.15 178.16 1rlh h LEU 88 N -0.02 0.80 -0.96 1.44 3.38 -1.13 -2.00 115.31 116.82 1rlh h LEU 88 Ca 0.04 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1rlh h LEU 88 Cb 0.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1rlh h LEU 88 CO 0.00 0.57 -0.18 0.78 0.09 0.00 0.00 178.44 179.71 1rlh h ASN 89 N 0.94 0.54 -0.74 -0.43 2.35 -0.95 -1.05 115.58 116.24 1rlh h ASN 89 Ca 0.26 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1rlh h ASN 89 Cb -0.09 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 1rlh h ASN 89 CO -0.07 0.74 0.44 0.00 -1.65 0.00 0.00 177.43 176.89 1rlh h ALA 90 N 1.31 0.95 -0.20 -0.83 0.00 -0.62 0.02 119.26 119.89 1rlh h ALA 90 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1rlh h ALA 90 Cb 0.60 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1rlh h ALA 90 CO 0.04 0.42 0.02 0.28 0.00 0.00 0.00 179.25 180.01 1rlh h VAL 91 N 1.01 1.24 -0.91 0.00 2.07 -0.93 -1.53 116.25 117.20 1rlh h VAL 91 Ca 0.27 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 67.05 1rlh h VAL 91 Cb -0.03 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 1rlh h VAL 91 CO -0.05 0.24 0.58 0.11 0.02 0.00 0.00 177.57 178.47 1rlh h LYS 92 N 0.12 1.01 -0.50 1.57 1.57 -0.86 -0.96 116.57 118.53 1rlh h LYS 92 Ca 0.06 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1rlh h LYS 92 Cb 0.35 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1rlh h LYS 92 CO 0.01 0.67 -0.06 0.52 -0.57 0.00 0.00 179.45 180.02 1rlh h MET 93 N 1.04 0.89 -0.19 3.15 2.86 -0.80 -2.41 114.93 119.48 1rlh h MET 93 Ca 0.40 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1rlh h MET 93 Cb 0.18 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1rlh h MET 93 CO -0.18 0.92 -0.15 0.00 1.06 0.00 0.00 176.91 178.56 1rlh h GLN 95 N 0.29 0.00 0.00 0.00 4.20 -0.69 0.19 115.11 119.10 1rlh h GLN 95 Ca 0.06 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1rlh h GLN 95 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1rlh h GLN 95 CO 0.03 0.00 -0.17 0.93 -0.67 0.00 0.00 178.83 178.95 1rlh h GLU 96 N 0.00 0.00 0.00 1.46 5.08 -1.24 -3.30 114.58 116.58 1rlh h GLU 96 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rlh h GLU 96 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1rlh h GLU 96 CO 0.00 0.17 -0.06 1.33 -1.00 0.00 0.00 179.01 179.45 1rlh n VAL 97 N -3.19 0.83 -3.87 3.13 0.24 -0.63 -5.06 118.33 109.77 1rlh n VAL 97 Ca 0.02 -0.92 0.01 0.00 -2.04 0.00 0.00 64.34 61.41 1rlh n VAL 97 Cb 0.52 0.46 0.01 0.00 -1.47 0.00 0.00 33.84 33.35 1rlh n VAL 97 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rlh n GLY 98 N -0.53 0.54 3.57 7.63 0.00 0.59 -0.82 105.19 116.17 1rlh n GLY 98 Ca 0.04 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 1rlh n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rlh s SER 99 N -2.64 4.38 -0.19 1.61 0.01 0.80 -4.20 113.70 113.47 1rlh s SER 99 Ca 0.17 -0.33 -0.10 0.00 1.31 0.00 0.00 55.95 57.00 1rlh s SER 99 Cb -0.01 -0.87 -0.05 0.00 0.21 0.00 0.00 66.02 65.30 1rlh s SER 99 CO 0.01 0.21 0.14 -0.63 0.41 0.00 0.00 173.24 173.38 1rlh s ILE 100 N -1.12 5.41 -0.22 1.44 -1.09 -1.26 -0.42 121.20 123.93 1rlh s ILE 100 Ca 0.19 0.22 0.01 0.00 -2.23 0.00 0.00 60.65 58.84 1rlh s ILE 100 Cb -0.11 -3.48 -0.20 0.00 -1.58 0.00 0.00 42.46 37.10 1rlh s ILE 100 CO 0.11 0.45 -0.06 0.49 -1.23 0.00 0.00 174.94 174.69 1rlh n PHE 101 N 3.43 0.31 -3.65 3.97 0.99 0.15 -4.95 117.46 117.71 1rlh n PHE 101 Ca -0.16 0.07 -0.14 0.00 -0.00 0.00 0.00 57.45 57.22 1rlh n PHE 101 Cb 0.52 -1.04 -0.07 0.00 -1.00 0.00 0.00 39.48 37.89 1rlh n PHE 101 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1rlh s ALA 102 N -2.53 -1.13 -0.31 4.37 0.00 -0.58 -4.66 121.76 116.93 1rlh s ALA 102 Ca -0.30 0.55 0.05 0.00 0.00 0.00 0.00 51.96 52.26 1rlh s ALA 102 Cb 0.08 0.20 0.18 0.00 0.00 0.00 0.00 23.12 23.58 1rlh s ALA 102 CO 0.65 -0.38 0.53 0.00 0.00 0.00 0.00 175.76 176.56 1rlh s ALA 103 N -1.85 -1.96 0.20 0.00 0.00 -1.25 -0.96 121.76 115.93 1rlh s ALA 103 Ca -0.09 0.62 -0.23 0.00 0.00 0.00 0.00 51.96 52.25 1rlh s ALA 103 Cb -0.02 -2.41 0.06 0.00 0.00 0.00 0.00 23.12 20.75 1rlh s ALA 103 CO 0.02 -1.87 0.91 -0.08 0.00 0.00 0.00 175.76 174.75 1rlh s THR 104 N 2.56 0.00 -0.33 0.00 -1.32 -0.54 -5.00 115.64 111.01 1rlh s THR 104 Ca 0.11 -0.74 0.06 0.00 -1.21 0.00 0.00 61.69 59.91 1rlh s THR 104 Cb -0.10 -2.19 -0.06 0.00 -1.51 0.00 0.00 72.50 68.64 1rlh s THR 104 CO -0.24 0.00 0.29 0.00 -2.21 0.00 0.00 174.62 172.46 1rlh n ALA 105 N -0.51 2.81 -1.47 11.08 0.00 -1.26 -1.02 120.51 130.14 1rlh n ALA 105 Ca -0.05 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 1rlh n ALA 105 Cb 0.60 -0.23 0.07 0.00 0.00 0.00 0.00 19.45 19.89 1rlh n ALA 105 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1rlh s ASN 106 N -1.54 5.06 0.39 0.00 0.02 -1.26 -4.97 114.94 112.63 1rlh s ASN 106 Ca 0.03 1.67 -0.27 0.00 -1.02 0.00 0.00 52.86 53.27 1rlh s ASN 106 Cb 0.05 -2.48 -0.11 0.00 0.02 0.00 0.00 41.25 38.73 1rlh s ASN 106 CO 0.25 -1.66 1.35 -2.65 0.02 0.00 0.00 177.10 174.42 1rlh n PRO 107 N -3.27 2.23 -4.13 -0.60 -0.02 -1.26 -4.72 135.00 123.22 1rlh n PRO 107 Ca 0.08 0.79 -0.17 0.00 -2.02 0.00 0.00 63.50 62.18 1rlh n PRO 107 Cb 0.53 -2.47 -0.15 0.00 -0.02 0.00 0.00 33.50 31.40 1rlh n PRO 107 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1rlh s LEU 108 N -1.68 1.80 -0.05 2.45 2.96 -1.26 -2.06 118.68 120.84 1rlh s LEU 108 Ca 0.57 -0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.44 1rlh s LEU 108 Cb -0.51 -0.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.88 1rlh s LEU 108 CO 0.61 0.03 -0.22 -1.58 -1.32 0.00 0.00 176.35 173.87 1rlh s GLN 109 N 0.17 2.26 -0.20 1.98 0.74 -0.90 -0.80 119.66 122.92 1rlh s GLN 109 Ca -0.02 -0.79 -0.07 0.00 0.05 0.00 0.00 55.36 54.54 1rlh s GLN 109 Cb -0.05 -1.93 -0.03 0.00 1.10 0.00 0.00 33.01 32.09 1rlh s GLN 109 CO -0.00 0.33 0.05 0.42 -0.55 0.00 0.00 175.29 175.53 1rlh s ILE 110 N -0.08 4.47 -0.24 -2.34 -1.09 0.11 -0.42 121.20 121.61 1rlh s ILE 110 Ca -0.04 -0.14 -0.21 0.00 -2.23 0.00 0.00 60.65 58.03 1rlh s ILE 110 Cb -0.13 -3.03 -0.02 0.00 -1.58 0.00 0.00 42.46 37.70 1rlh s ILE 110 CO 0.03 0.43 0.65 -0.63 -1.23 0.00 0.00 174.94 174.19 1rlh s ILE 111 N 0.74 4.98 0.13 2.92 -1.09 0.15 -0.37 121.20 128.66 1rlh s ILE 111 Ca 0.02 1.19 0.11 0.00 -2.23 0.00 0.00 60.65 59.74 1rlh s ILE 111 Cb -0.14 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1rlh s ILE 111 CO 0.02 0.04 -0.26 -0.69 -1.23 0.00 0.00 174.94 172.82 1rlh s VAL 112 N 2.36 2.23 -0.13 2.92 1.01 -1.26 -0.69 120.40 126.84 1rlh s VAL 112 Ca 0.28 -1.76 -0.00 0.00 0.00 0.00 0.00 61.98 60.49 1rlh s VAL 112 Cb -0.16 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1rlh s VAL 112 CO 0.09 0.07 -0.13 -0.47 0.00 0.00 0.00 175.10 174.66 1rlh s TYR 113 N -1.10 2.82 -0.33 5.22 5.04 0.09 -1.19 117.35 127.90 1rlh s TYR 113 Ca 0.14 -0.64 -0.19 0.00 -2.44 0.00 0.00 57.07 53.94 1rlh s TYR 113 Cb -0.10 -1.85 -0.01 0.00 0.35 0.00 0.00 41.96 40.35 1rlh s TYR 113 CO 0.06 -0.21 0.56 0.21 -1.34 0.00 0.00 175.55 174.83 1rlh s LYS 114 N 0.37 3.77 0.00 4.97 2.20 0.68 -1.05 119.74 130.68 1rlh s LYS 114 Ca -0.10 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 1rlh s LYS 114 Cb -0.16 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 1rlh s LYS 114 CO 0.05 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 1rlh n GLY 115 N 4.63 4.30 0.17 5.54 0.00 0.25 -0.25 105.19 119.83 1rlh n GLY 115 Ca -0.03 -2.06 -0.06 0.00 0.00 0.00 0.00 46.02 43.86 1rlh n GLY 115 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rlh h GLU 116 N 0.00 -0.39 0.00 1.61 4.39 -1.96 -3.35 114.58 114.87 1rlh h GLU 116 Ca 0.00 0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 1rlh h GLU 116 Cb 0.00 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1rlh h GLU 116 CO 0.00 -0.26 -0.36 0.00 -1.16 0.00 0.00 179.01 177.23 1rlh h ARG 117 N -0.63 0.00 0.00 2.33 3.08 -1.98 -3.49 114.38 113.70 1rlh h ARG 117 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1rlh h ARG 117 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1rlh h ARG 117 CO 0.07 0.36 0.00 0.41 -1.07 0.00 0.00 179.97 179.74 1rlh n GLY 118 N 0.61 -0.60 4.01 0.04 0.00 -1.26 -5.05 105.19 102.94 1rlh n GLY 118 Ca 0.01 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 1rlh n GLY 118 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rlh s ASN 119 N -4.00 5.61 -0.00 1.61 0.01 -0.87 -0.58 114.94 116.72 1rlh s ASN 119 Ca 0.00 -0.46 0.01 0.00 -0.71 0.00 0.00 52.86 51.70 1rlh s ASN 119 Cb 0.00 -0.58 0.00 0.00 0.41 0.00 0.00 41.25 41.08 1rlh s ASN 119 CO 0.00 -0.81 -0.01 -0.83 -1.51 0.00 0.00 177.10 173.94 1rlh s GLY 120 N -4.37 0.09 -0.22 0.66 0.00 -0.21 -4.07 107.32 99.20 1rlh s GLY 120 Ca 0.55 -0.05 -0.24 0.00 0.00 0.00 0.00 44.72 44.98 1rlh s GLY 120 CO 0.33 0.00 0.82 0.14 0.00 0.00 0.00 173.10 174.39 1rlh s VAL 121 N 0.06 4.86 -0.27 1.40 1.01 -1.26 -0.73 120.40 125.46 1rlh s VAL 121 Ca -0.00 1.56 0.22 0.00 0.00 0.00 0.00 61.98 63.76 1rlh s VAL 121 Cb -0.02 -4.11 -0.28 0.00 0.00 0.00 0.00 36.38 31.98 1rlh s VAL 121 CO -0.00 -0.03 0.65 0.18 0.00 0.00 0.00 175.10 175.89 1rlh n LEU 122 N 5.70 0.30 0.00 3.92 4.77 0.13 -4.98 117.00 126.84 1rlh n LEU 122 Ca 0.05 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1rlh n LEU 122 Cb 0.48 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1rlh n LEU 122 CO 0.47 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1rlh n GLY 123 N 1.31 -2.03 3.10 -0.72 0.00 -1.20 -4.99 105.19 100.66 1rlh n GLY 123 Ca -0.02 -1.26 -0.07 0.00 0.00 0.00 0.00 46.02 44.67 1rlh n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rlh s VAL 124 N -2.57 0.20 -0.41 1.61 -7.23 -1.26 -0.68 120.40 110.07 1rlh s VAL 124 Ca 0.00 -1.68 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 1rlh s VAL 124 Cb 0.00 -1.44 0.11 0.00 0.56 0.00 0.00 36.38 35.61 1rlh s VAL 124 CO 0.00 -0.93 0.21 -0.63 -0.31 0.00 0.00 175.10 173.44 1rlh s ILE 125 N -3.81 3.30 -0.48 -0.62 -1.09 0.44 -4.94 121.20 113.99 1rlh s ILE 125 Ca 0.06 -2.05 -0.16 0.00 -2.23 0.00 0.00 60.65 56.26 1rlh s ILE 125 Cb 0.07 -3.26 0.07 0.00 -1.58 0.00 0.00 42.46 37.75 1rlh s ILE 125 CO -0.10 -0.69 0.45 -0.62 -1.23 0.00 0.00 174.94 172.75 1rlh s ASP 126 N 1.84 6.17 0.51 3.58 -1.08 -1.26 -2.12 116.67 124.30 1rlh s ASP 126 Ca 0.08 -1.19 0.00 0.00 -0.52 0.00 0.00 52.55 50.92 1rlh s ASP 126 Cb -0.23 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1rlh s ASP 126 CO -0.04 -0.69 0.00 0.61 0.52 0.00 0.00 175.17 175.56 1rlh n GLY 127 N 5.19 0.32 3.80 2.66 0.00 -0.87 -4.91 105.19 111.38 1rlh n GLY 127 Ca -0.11 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 1rlh n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rlh s TYR 128 N 0.00 2.69 0.60 1.61 1.51 -1.26 -4.98 117.35 117.52 1rlh s TYR 128 Ca 0.00 -0.49 -0.15 0.00 -1.01 0.00 0.00 57.07 55.42 1rlh s TYR 128 Cb 0.00 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1rlh s TYR 128 CO 0.00 0.08 1.04 -1.54 -1.11 0.00 0.00 175.55 174.03 1rlh s SER 129 N -4.00 5.89 0.52 2.29 1.04 -1.26 -5.02 113.70 113.17 1rlh s SER 129 Ca 0.43 1.71 -0.19 0.00 0.48 0.00 0.00 55.95 58.38 1rlh s SER 129 Cb -0.01 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.53 1rlh s SER 129 CO 0.25 -1.09 1.08 -2.16 0.98 0.00 0.00 173.24 172.30 1rlh s PRO 130 N -4.32 3.55 0.00 4.02 0.04 -1.26 -4.97 135.00 132.06 1rlh s PRO 130 Ca 0.61 1.46 0.14 0.00 0.04 0.00 0.00 61.00 63.25 1rlh s PRO 130 Cb -0.14 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.41 1rlh s PRO 130 CO 0.40 -0.66 0.87 1.33 0.04 0.00 0.00 177.00 178.98 1rlh n VAL 131 N -1.21 0.00 -2.85 -0.36 0.24 -1.26 -5.06 118.33 107.82 1rlh n VAL 131 Ca 0.10 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1rlh n VAL 131 Cb 0.52 1.24 0.00 0.00 -1.47 0.00 0.00 33.84 34.13 1rlh n VAL 131 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rlh n GLY 132 N 0.89 -1.26 3.28 7.63 0.00 -1.26 -5.15 105.19 109.32 1rlh n GLY 132 Ca 0.07 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1rlh n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rlh s VAL 133 N -2.91 2.10 0.68 1.61 1.01 -1.26 -5.12 120.40 116.51 1rlh s VAL 133 Ca 0.00 -1.06 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 1rlh s VAL 133 Cb 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.64 1rlh s VAL 133 CO 0.00 0.57 1.27 -1.83 0.00 0.00 0.00 175.10 175.11 1rlh s GLU 134 N -0.26 2.35 0.00 2.72 -1.05 -1.26 -5.31 118.70 115.88 1rlh s GLU 134 Ca -0.01 1.97 0.27 0.00 -0.15 0.00 0.00 54.97 57.05 1rlh s GLU 134 Cb -0.13 -1.83 0.74 0.00 -0.44 0.00 0.00 34.13 32.46 1rlh s GLU 134 CO 0.03 -1.73 1.57 0.43 0.95 0.00 0.00 175.26 176.50