#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rli s ILE 3 N 0.00 2.35 -0.08 0.58 1.01 -1.26 -1.26 121.20 122.53 1rli s ILE 3 Ca 0.00 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.73 1rli s ILE 3 Cb 0.00 -1.88 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 1rli s ILE 3 CO 0.00 0.57 -0.23 0.00 0.00 0.00 0.00 174.94 175.28 1rli s ALA 4 N -0.25 2.10 -0.32 9.38 0.00 -0.41 -0.52 121.76 131.74 1rli s ALA 4 Ca -0.01 -0.96 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 1rli s ALA 4 Cb -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1rli s ALA 4 CO 0.03 0.32 0.16 0.08 0.00 0.00 0.00 175.76 176.35 1rli s VAL 5 N 0.19 4.59 -0.60 0.00 1.01 0.84 -0.65 120.40 125.78 1rli s VAL 5 Ca -0.14 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 1rli s VAL 5 Cb -0.16 -3.39 0.09 0.00 0.00 0.00 0.00 36.38 32.91 1rli s VAL 5 CO 0.07 -0.00 0.79 -0.63 0.00 0.00 0.00 175.10 175.32 1rli s ILE 6 N 1.60 4.65 -0.42 2.22 1.01 0.50 -0.45 121.20 130.32 1rli s ILE 6 Ca 0.04 -0.71 -0.26 0.00 0.00 0.00 0.00 60.65 59.71 1rli s ILE 6 Cb -0.18 -4.54 0.02 0.00 0.01 0.00 0.00 42.46 37.78 1rli s ILE 6 CO 0.06 -1.20 0.96 0.20 0.00 0.00 0.00 174.94 174.96 1rli s ASN 7 N 3.54 6.60 0.00 3.58 0.01 0.55 -1.00 114.94 128.22 1rli s ASN 7 Ca 0.16 0.38 0.22 0.00 -0.71 0.00 0.00 52.86 52.90 1rli s ASN 7 Cb -0.21 -2.47 0.55 0.00 0.41 0.00 0.00 41.25 39.52 1rli s ASN 7 CO 0.08 -1.01 1.45 0.61 -1.51 0.00 0.00 177.10 176.73 1rli n GLY 8 N 4.68 1.08 0.00 0.66 0.00 0.84 -1.64 105.19 110.81 1rli n GLY 8 Ca 0.08 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1rli n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rli n GLY 9 N 1.34 0.54 2.76 -0.02 0.00 -1.26 -4.32 105.19 104.23 1rli n GLY 9 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1rli n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rli s THR 10 N 3.26 0.71 -0.73 2.61 2.01 -1.26 -4.34 115.64 117.90 1rli s THR 10 Ca 0.00 -0.77 -0.34 0.00 0.31 0.00 0.00 61.69 60.89 1rli s THR 10 Cb 0.00 -1.23 -0.18 0.00 0.01 0.00 0.00 72.50 71.10 1rli s THR 10 CO 0.00 -0.26 2.46 -1.14 -0.69 0.00 0.00 174.62 174.99 1rli n ARG 11 N 4.97 0.25 -1.72 4.92 0.63 -1.26 -4.60 116.66 119.85 1rli n ARG 11 Ca -0.08 0.03 -0.01 0.00 -0.92 0.00 0.00 57.85 56.87 1rli n ARG 11 Cb 0.46 -1.84 0.04 0.00 0.45 0.00 0.00 32.46 31.57 1rli n ARG 11 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1rli n SER 12 N 10.26 -0.51 -2.31 6.15 3.41 -1.26 -4.99 113.62 124.38 1rli n SER 12 Ca 0.57 -1.33 -0.19 0.00 -0.26 0.00 0.00 58.87 57.66 1rli n SER 12 Cb 0.09 0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 1rli n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rli n GLY 13 N -0.47 -0.23 3.71 5.00 0.00 -1.26 -4.96 105.19 106.97 1rli n GLY 13 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1rli n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rli s GLY 14 N -2.11 1.58 0.28 -0.02 0.00 -1.26 -4.38 107.32 101.40 1rli s GLY 14 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 44.72 44.38 1rli s GLY 14 CO 0.00 0.24 1.88 3.43 0.00 0.00 0.00 173.10 178.65 1rli h ASN 15 N -1.71 1.00 -0.32 1.64 2.35 -1.93 -1.22 115.58 115.40 1rli h ASN 15 Ca -0.52 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.18 1rli h ASN 15 Cb 1.32 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 1rli h ASN 15 CO 0.58 0.62 -0.05 0.74 -1.65 0.00 0.00 177.43 177.67 1rli h THR 16 N 1.13 1.27 -0.32 2.81 2.02 -1.92 -0.79 112.91 117.11 1rli h THR 16 Ca 0.44 -1.07 0.04 0.00 0.77 0.00 0.00 66.41 66.58 1rli h THR 16 Cb 0.23 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1rli h THR 16 CO -0.18 0.35 0.10 -0.78 0.37 0.00 0.00 175.52 175.38 1rli h ASP 17 N 0.38 0.10 -0.42 4.18 -0.00 -1.82 -0.47 116.42 118.37 1rli h ASP 17 Ca 0.08 0.04 -0.00 0.00 -0.00 0.00 0.00 57.03 57.15 1rli h ASP 17 Cb 0.53 0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 39.87 1rli h ASP 17 CO 0.03 0.09 0.26 0.58 -0.00 0.00 0.00 179.24 180.20 1rli h VAL 18 N 0.24 1.13 -0.44 2.25 2.07 -1.07 0.17 116.25 120.60 1rli h VAL 18 Ca 0.15 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1rli h VAL 18 Cb 0.13 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1rli h VAL 18 CO -0.16 0.13 -0.03 0.25 0.02 0.00 0.00 177.57 177.78 1rli h LEU 19 N 0.55 0.70 -0.59 2.57 6.46 -0.82 -1.19 115.31 122.98 1rli h LEU 19 Ca 0.15 -0.17 -0.15 0.00 -0.12 0.00 0.00 57.88 57.59 1rli h LEU 19 Cb -0.02 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 1rli h LEU 19 CO -0.03 0.78 -0.48 0.00 -0.62 0.00 0.00 178.44 178.09 1rli h ALA 20 N 1.30 0.77 -0.26 1.25 0.00 -0.74 -2.67 119.26 118.90 1rli h ALA 20 Ca 0.13 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1rli h ALA 20 Cb 0.46 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1rli h ALA 20 CO 0.02 0.67 -0.05 0.93 0.00 0.00 0.00 179.25 180.82 1rli h GLU 21 N 0.44 0.41 -0.74 0.00 4.39 -0.36 -1.76 114.58 116.97 1rli h GLU 21 Ca 0.02 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1rli h GLU 21 Cb 1.00 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.56 1rli h GLU 21 CO 0.09 0.49 0.33 -0.22 -1.16 0.00 0.00 179.01 178.54 1rli h LYS 22 N 0.39 1.07 -0.41 2.33 1.63 -0.91 -1.07 116.57 119.61 1rli h LYS 22 Ca 0.08 -0.17 -0.11 0.00 -0.85 0.00 0.00 60.65 59.60 1rli h LYS 22 Cb 0.35 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1rli h LYS 22 CO 0.02 0.86 -0.20 0.00 -3.45 0.00 0.00 179.45 176.67 1rli h ALA 23 N 1.16 0.87 -0.65 5.00 0.00 -1.13 -3.21 119.26 121.31 1rli h ALA 23 Ca 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1rli h ALA 23 Cb 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rli h ALA 23 CO -0.03 0.63 0.00 1.33 0.00 0.00 0.00 179.25 181.18 1rli n VAL 24 N -4.12 1.08 -1.71 0.00 0.24 -0.73 -4.63 118.33 108.45 1rli n VAL 24 Ca 0.00 -0.93 -0.43 0.00 -2.04 0.00 0.00 64.34 60.94 1rli n VAL 24 Cb 0.42 0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 33.12 1rli n VAL 24 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1rli n GLN 25 N 1.34 2.65 -0.24 7.34 7.27 -0.43 -0.85 117.38 134.46 1rli n GLN 25 Ca 0.23 0.95 0.00 0.00 0.07 0.00 0.00 57.00 58.25 1rli n GLN 25 Cb 0.62 -2.77 0.00 0.00 2.41 0.00 0.00 30.24 30.50 1rli n GLN 25 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rli n GLY 26 N 3.57 1.57 0.02 1.69 0.00 -1.26 -4.87 105.19 105.90 1rli n GLY 26 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1rli n GLY 26 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rli n PHE 27 N -2.00 0.16 -3.58 1.61 3.01 -0.03 -5.01 117.46 111.63 1rli n PHE 27 Ca 0.00 0.05 -0.26 0.00 1.01 0.00 0.00 57.45 58.25 1rli n PHE 27 Cb 0.00 -0.39 0.04 0.00 -0.01 0.00 0.00 39.48 39.12 1rli n PHE 27 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1rli n ASP 28 N -2.01 -5.71 -4.87 4.37 -0.08 -1.25 -4.91 116.55 102.09 1rli n ASP 28 Ca 0.00 -0.88 -0.30 0.00 -1.51 0.00 0.00 54.79 52.10 1rli n ASP 28 Cb 0.47 -3.64 0.04 0.00 2.34 0.00 0.00 41.12 40.33 1rli n ASP 28 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rli s ALA 29 N -3.36 2.86 -0.17 -1.67 0.00 -1.26 -4.85 121.76 113.31 1rli s ALA 29 Ca 0.39 -0.25 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 1rli s ALA 29 Cb -0.13 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1rli s ALA 29 CO 0.84 -1.11 0.38 -1.21 0.00 0.00 0.00 175.76 174.66 1rli s GLU 30 N -5.28 4.25 -0.29 0.00 2.02 0.32 -4.96 118.70 114.76 1rli s GLU 30 Ca 0.58 0.22 -0.11 0.00 0.02 0.00 0.00 54.97 55.68 1rli s GLU 30 Cb -0.12 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 1rli s GLU 30 CO 0.53 0.11 0.18 -1.01 0.02 0.00 0.00 175.26 175.10 1rli s HIS 31 N 0.82 3.20 -0.27 1.61 3.76 -1.26 -0.11 115.29 123.04 1rli s HIS 31 Ca 0.20 -0.08 -0.05 0.00 -0.15 0.00 0.00 55.06 54.97 1rli s HIS 31 Cb -0.14 -2.38 0.01 0.00 1.11 0.00 0.00 32.58 31.17 1rli s HIS 31 CO 0.07 -0.26 0.03 0.42 -0.85 0.00 0.00 174.74 174.15 1rli s ILE 32 N 1.72 3.64 -0.37 0.60 1.01 0.41 -4.96 121.20 123.25 1rli s ILE 32 Ca 0.06 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 1rli s ILE 32 Cb -0.16 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1rli s ILE 32 CO 0.10 0.18 0.26 -0.31 0.00 0.00 0.00 174.94 175.17 1rli s TYR 33 N 1.46 3.23 0.12 3.97 1.51 -1.26 -0.33 117.35 126.05 1rli s TYR 33 Ca 0.03 -0.42 -0.16 0.00 -1.01 0.00 0.00 57.07 55.51 1rli s TYR 33 Cb -0.16 -2.52 -0.03 0.00 -0.11 0.00 0.00 41.96 39.13 1rli s TYR 33 CO -0.00 -0.47 1.59 -0.07 -1.11 0.00 0.00 175.55 175.48 1rli h LEU 34 N 8.54 0.59 -6.66 -1.29 3.38 -1.65 -3.49 115.31 114.73 1rli h LEU 34 Ca -0.29 -0.27 -0.74 0.00 0.09 0.00 0.00 57.88 56.67 1rli h LEU 34 Cb 1.14 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.60 1rli h LEU 34 CO 0.68 0.71 2.13 1.67 0.09 0.00 0.00 178.44 183.71 1rli n GLN 35 N -4.55 3.41 -0.97 1.13 7.27 -1.26 -5.09 117.38 117.32 1rli n GLN 35 Ca -0.01 -3.40 0.00 0.00 0.07 0.00 0.00 57.00 53.66 1rli n GLN 35 Cb 0.23 -3.05 0.00 0.00 2.41 0.00 0.00 30.24 29.84 1rli n GLN 35 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1rli n ASP 58 N 4.84 -1.89 -0.12 1.69 5.75 -1.26 -4.67 116.55 120.89 1rli n ASP 58 Ca 0.42 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 55.15 1rli n ASP 58 Cb 0.38 -0.38 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1rli n ASP 58 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1rli h TYR 59 N 0.00 -0.11 -0.89 2.11 3.20 -1.99 -1.80 116.97 117.48 1rli h TYR 59 Ca 0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.93 1rli h TYR 59 Cb 0.20 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 1rli h TYR 59 CO 0.00 -0.12 0.59 -0.44 -1.64 0.00 0.00 178.16 176.54 1rli h ASP 60 N 0.05 0.99 -0.41 -2.11 3.32 -2.05 -1.15 116.42 115.07 1rli h ASP 60 Ca 0.19 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 1rli h ASP 60 Cb 0.29 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1rli h ASP 60 CO -0.37 0.70 -0.11 0.28 -1.72 0.00 0.00 179.24 178.02 1rli h SER 61 N 1.16 0.86 -0.17 6.45 0.02 -1.85 -1.10 113.55 118.91 1rli h SER 61 Ca 0.34 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1rli h SER 61 Cb -0.05 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 1rli h SER 61 CO -0.09 0.99 0.06 0.40 -1.14 0.00 0.00 176.83 177.05 1rli h ILE 62 N 0.78 1.16 -0.58 3.27 2.04 -0.68 -0.39 117.51 123.11 1rli h ILE 62 Ca 0.13 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.51 1rli h ILE 62 Cb 0.63 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1rli h ILE 62 CO 0.04 0.16 0.35 0.40 0.00 0.00 0.00 178.15 179.10 1rli h ILE 63 N 0.12 1.06 -0.76 -0.67 1.08 -1.04 -0.62 117.51 116.68 1rli h ILE 63 Ca 0.06 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 64.32 1rli h ILE 63 Cb 0.19 0.31 -0.05 0.00 -3.07 0.00 0.00 36.82 34.20 1rli h ILE 63 CO -0.00 0.13 0.48 -0.08 -0.69 0.00 0.00 178.15 177.99 1rli h GLU 64 N 0.69 0.92 -0.34 2.37 4.81 -0.88 -2.02 114.58 120.12 1rli h GLU 64 Ca 0.24 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1rli h GLU 64 Cb 0.03 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1rli h GLU 64 CO -0.10 0.61 -0.02 0.00 -0.73 0.00 0.00 179.01 178.76 1rli h ARG 65 N 0.94 0.62 -0.09 1.92 3.08 -0.35 -3.18 114.38 117.33 1rli h ARG 65 Ca 0.31 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 1rli h ARG 65 Cb 0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1rli h ARG 65 CO -0.11 0.76 -0.45 -0.84 -1.07 0.00 0.00 179.97 178.26 1rli h ILE 66 N 0.42 1.32 0.00 2.04 3.07 -0.91 -2.68 117.51 120.78 1rli h ILE 66 Ca 0.09 -1.60 -0.00 0.00 1.55 0.00 0.00 64.86 64.91 1rli h ILE 66 Cb 0.49 1.75 -0.00 0.00 -0.27 0.00 0.00 36.82 38.79 1rli h ILE 66 CO 0.02 0.47 -0.00 -0.07 -1.05 0.00 0.00 178.15 177.53 1rli h LEU 67 N 0.17 0.00 -0.85 0.16 3.38 -1.35 0.08 115.31 116.90 1rli h LEU 67 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rli h LEU 67 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1rli h LEU 67 CO 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.59 1rli n GLN 68 N -3.14 1.56 -4.57 1.13 6.02 -1.01 -4.87 117.38 112.51 1rli n GLN 68 Ca -0.03 -0.85 -0.34 0.00 -0.01 0.00 0.00 57.00 55.77 1rli n GLN 68 Cb 0.09 -1.48 -0.12 0.00 1.02 0.00 0.00 30.24 29.75 1rli n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rli h HIS 70 N 5.70 0.34 -3.43 0.00 2.76 -1.47 -3.44 115.15 115.61 1rli h HIS 70 Ca -0.43 -0.22 -0.66 0.00 -2.20 0.00 0.00 60.37 56.86 1rli h HIS 70 Cb 1.18 -0.03 -0.27 0.00 1.55 0.00 0.00 27.41 29.85 1rli h HIS 70 CO 0.56 1.10 -0.78 0.42 -1.30 0.00 0.00 177.93 177.93 1rli s ILE 71 N -2.93 2.96 -0.12 6.26 1.01 -1.04 -1.60 121.20 125.73 1rli s ILE 71 Ca -0.03 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1rli s ILE 71 Cb 0.09 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.35 1rli s ILE 71 CO 0.85 0.54 -0.19 -0.76 0.00 0.00 0.00 174.94 175.37 1rli s LEU 72 N 0.20 1.95 -0.29 2.97 1.43 -0.30 -1.28 118.68 123.36 1rli s LEU 72 Ca -0.09 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1rli s LEU 72 Cb -0.15 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1rli s LEU 72 CO 0.05 0.06 0.04 -0.63 0.23 0.00 0.00 176.35 176.11 1rli s ILE 73 N 0.83 3.62 -0.44 -0.59 1.01 0.17 -1.04 121.20 124.77 1rli s ILE 73 Ca -0.08 -0.87 -0.22 0.00 0.00 0.00 0.00 60.65 59.48 1rli s ILE 73 Cb -0.15 -2.90 0.02 0.00 0.01 0.00 0.00 42.46 39.44 1rli s ILE 73 CO -0.01 0.06 0.73 -0.36 0.00 0.00 0.00 174.94 175.37 1rli s PHE 74 N 1.43 3.03 -0.22 3.97 0.08 0.12 -0.37 117.98 126.02 1rli s PHE 74 Ca 0.01 0.11 -0.05 0.00 0.12 0.00 0.00 56.93 57.12 1rli s PHE 74 Cb -0.17 -3.53 -0.02 0.00 -0.57 0.00 0.00 43.02 38.73 1rli s PHE 74 CO 0.01 -0.93 -0.01 0.00 -0.10 0.00 0.00 175.22 174.19 1rli s ALA 75 N 3.10 2.92 -0.06 5.36 0.00 -0.17 -1.34 121.76 131.57 1rli s ALA 75 Ca 0.27 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 1rli s ALA 75 Cb -0.13 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.22 1rli s ALA 75 CO 0.21 -0.37 0.19 -0.08 0.00 0.00 0.00 175.76 175.71 1rli s THR 76 N 1.39 0.01 0.72 0.00 -1.32 -0.30 -0.11 115.64 116.03 1rli s THR 76 Ca 0.05 -0.11 -0.11 0.00 -1.21 0.00 0.00 61.69 60.31 1rli s THR 76 Cb -0.14 -0.31 0.03 0.00 -1.51 0.00 0.00 72.50 70.56 1rli s THR 76 CO -0.01 -0.06 1.08 -2.16 -2.21 0.00 0.00 174.62 171.26 1rli s PRO 77 N -0.14 2.66 -0.30 7.08 0.04 -1.26 -3.00 135.00 140.07 1rli s PRO 77 Ca -0.02 1.10 -0.17 0.00 0.04 0.00 0.00 61.00 61.95 1rli s PRO 77 Cb -0.02 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1rli s PRO 77 CO 0.01 -1.33 0.46 0.42 0.04 0.00 0.00 177.00 176.60 1rli s ILE 78 N -2.89 5.09 -0.16 0.56 1.01 0.07 -3.57 121.20 121.31 1rli s ILE 78 Ca 0.60 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.79 1rli s ILE 78 Cb -0.16 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1rli s ILE 78 CO 0.53 -0.02 -0.16 -0.31 0.00 0.00 0.00 174.94 174.99 1rli s TYR 79 N 2.25 2.78 -1.41 3.97 2.02 -0.43 -4.72 117.35 121.81 1rli s TYR 79 Ca 0.18 -1.09 -0.01 0.00 -0.37 0.00 0.00 57.07 55.78 1rli s TYR 79 Cb -0.16 -1.89 0.01 0.00 -0.40 0.00 0.00 41.96 39.52 1rli s TYR 79 CO 0.11 -0.50 0.45 0.91 -1.57 0.00 0.00 175.55 174.95 1rli n TRP 80 N 4.12 -1.68 -1.87 2.71 7.02 -1.26 -1.17 117.44 125.32 1rli n TRP 80 Ca -0.19 0.76 -0.20 0.00 -1.02 0.00 0.00 57.50 56.84 1rli n TRP 80 Cb 0.52 -3.77 -0.06 0.00 -2.42 0.00 0.00 31.31 25.57 1rli n TRP 80 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1rli n PHE 81 N -4.39 -0.36 -3.16 -5.99 3.72 -1.26 -4.91 117.46 101.11 1rli n PHE 81 Ca -0.29 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 1rli n PHE 81 Cb 0.68 -3.60 0.00 0.00 -0.94 0.00 0.00 39.48 35.62 1rli n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rli n GLY 82 N -0.59 4.23 2.45 1.37 0.00 -0.31 -4.28 105.19 108.05 1rli n GLY 82 Ca -0.22 -1.36 -0.17 0.00 0.00 0.00 0.00 46.02 44.27 1rli n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1rli n MET 83 N 0.00 -0.50 -1.88 1.61 0.00 -1.26 -1.31 117.12 113.78 1rli n MET 83 Ca 0.00 -1.44 -0.32 0.00 0.00 0.00 0.00 57.70 55.94 1rli n MET 83 Cb 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 33.22 32.52 1rli n MET 83 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1rli s SER 84 N -3.92 5.89 0.30 3.17 1.04 -1.23 -4.05 113.70 114.90 1rli s SER 84 Ca 0.46 1.60 0.01 0.00 0.48 0.00 0.00 55.95 58.50 1rli s SER 84 Cb -0.02 -2.50 0.47 0.00 0.10 0.00 0.00 66.02 64.08 1rli s SER 84 CO 0.32 -1.10 1.84 1.23 0.98 0.00 0.00 173.24 176.51 1rli h GLY 85 N -0.11 0.76 0.99 7.32 0.00 -1.95 -1.23 103.07 108.85 1rli h GLY 85 Ca -0.45 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.44 1rli h GLY 85 CO 0.59 0.42 0.19 -0.84 0.00 0.00 0.00 176.54 176.90 1rli h THR 86 N 0.68 1.07 -0.19 4.70 2.02 -1.92 -0.58 112.91 118.68 1rli h THR 86 Ca 0.15 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 67.08 1rli h THR 86 Cb 0.32 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1rli h THR 86 CO 0.01 0.07 -0.34 0.25 0.37 0.00 0.00 175.52 175.88 1rli h LEU 87 N 0.39 0.41 -0.49 2.58 5.85 -1.67 -2.12 115.31 120.26 1rli h LEU 87 Ca 0.11 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1rli h LEU 87 Cb -0.04 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1rli h LEU 87 CO -0.03 0.72 0.13 0.50 -0.34 0.00 0.00 178.44 179.43 1rli h LYS 88 N 0.34 0.77 -0.13 1.25 1.63 -0.75 -0.67 116.57 119.03 1rli h LYS 88 Ca 0.04 -0.18 -0.08 0.00 -0.85 0.00 0.00 60.65 59.58 1rli h LYS 88 Cb 0.76 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 1rli h LYS 88 CO 0.06 0.74 -0.27 -0.07 -3.45 0.00 0.00 179.45 176.46 1rli h LEU 89 N 0.67 0.23 0.44 5.20 3.38 -0.96 -0.13 115.31 124.12 1rli h LEU 89 Ca 0.16 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1rli h LEU 89 Cb 0.31 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1rli h LEU 89 CO -0.00 0.50 -0.21 0.15 0.09 0.00 0.00 178.44 178.97 1rli h PHE 90 N 0.21 -0.54 -0.71 1.13 3.57 -0.94 -2.43 116.94 117.22 1rli h PHE 90 Ca 0.03 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1rli h PHE 90 Cb 0.59 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 1rli h PHE 90 CO 0.01 -0.22 0.28 0.82 -2.23 0.00 0.00 178.31 176.97 1rli h ILE 91 N -0.89 1.24 -0.77 1.41 2.04 -1.04 -2.21 117.51 117.29 1rli h ILE 91 Ca -0.06 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.11 1rli h ILE 91 Cb 0.57 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1rli h ILE 91 CO 0.10 0.31 0.50 0.44 0.00 0.00 0.00 178.15 179.50 1rli h ASP 92 N 1.03 0.69 0.42 1.72 3.32 -1.02 -0.07 116.42 122.51 1rli h ASP 92 Ca 0.24 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1rli h ASP 92 Cb 0.20 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1rli h ASP 92 CO -0.02 0.43 0.00 -1.14 -1.72 0.00 0.00 179.24 176.79 1rli n ARG 93 N -4.49 0.07 0.31 3.56 0.63 -0.83 -2.10 116.66 113.80 1rli n ARG 93 Ca 0.12 0.22 0.18 0.00 -0.92 0.00 0.00 57.85 57.45 1rli n ARG 93 Cb 0.26 -1.50 0.98 0.00 0.45 0.00 0.00 32.46 32.65 1rli n ARG 93 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1rli h TRP 94 N 0.00 0.00 -0.29 -0.14 6.55 -1.02 0.22 115.95 121.27 1rli h TRP 94 Ca 0.00 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.79 1rli h TRP 94 Cb 0.21 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.49 1rli h TRP 94 CO 0.00 0.03 -0.04 0.77 -1.05 0.00 0.00 178.44 178.15 1rli h SER 95 N 0.00 0.42 -0.00 -3.49 0.02 -1.60 0.11 113.55 109.01 1rli h SER 95 Ca -0.00 -0.08 -0.23 0.00 -0.84 0.00 0.00 61.79 60.64 1rli h SER 95 Cb 0.14 -0.11 0.02 0.00 0.14 0.00 0.00 62.40 62.59 1rli h SER 95 CO 0.00 0.51 -0.91 1.56 -1.14 0.00 0.00 176.83 176.86 1rli h GLN 96 N 0.43 0.62 -0.03 3.45 1.08 -1.18 -3.25 115.11 116.24 1rli h GLN 96 Ca 0.09 -0.66 -0.07 0.00 -1.45 0.00 0.00 58.65 56.56 1rli h GLN 96 Cb 0.34 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1rli h GLN 96 CO 0.01 1.26 -0.32 1.15 -0.95 0.00 0.00 178.83 179.99 1rli h THR 97 N 0.25 1.24 0.00 -0.54 2.02 -1.05 -1.79 112.91 113.03 1rli h THR 97 Ca -0.11 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 65.92 1rli h THR 97 Cb 1.58 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1rli h THR 97 CO 0.18 0.33 0.00 0.18 0.37 0.00 0.00 175.52 176.58 1rli n LEU 98 N -4.15 0.25 -0.03 2.58 4.77 0.34 -2.08 117.00 118.67 1rli n LEU 98 Ca -0.02 0.59 0.01 0.00 -0.03 0.00 0.00 56.01 56.56 1rli n LEU 98 Cb 0.37 -0.59 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1rli n LEU 98 CO 0.39 -0.54 0.43 0.54 -1.33 0.00 0.00 177.39 176.87 1rli n ARG 99 N -1.80 1.88 -2.84 3.23 1.74 -0.73 -4.99 116.66 113.15 1rli n ARG 99 Ca 0.01 -1.34 -0.42 0.00 -0.77 0.00 0.00 57.85 55.33 1rli n ARG 99 Cb 0.09 -0.90 -0.04 0.00 -1.02 0.00 0.00 32.46 30.59 1rli n ARG 99 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rli s ASP 100 N -0.95 6.84 0.27 0.55 -1.08 -0.89 -4.94 116.67 116.47 1rli s ASP 100 Ca 0.04 0.99 0.22 0.00 -0.52 0.00 0.00 52.55 53.27 1rli s ASP 100 Cb 0.03 -2.45 1.03 0.00 -1.46 0.00 0.00 42.92 40.07 1rli s ASP 100 CO 0.00 -0.60 1.66 -0.81 0.52 0.00 0.00 175.17 175.94 1rli n PRO 101 N 6.20 0.16 0.22 4.34 -0.04 -1.26 -1.71 135.00 142.91 1rli n PRO 101 Ca 0.07 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.16 1rli n PRO 101 Cb 0.47 -1.89 0.25 0.00 -0.04 0.00 0.00 33.50 32.29 1rli n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rli h ARG 102 N 0.00 0.00 -2.17 0.54 3.08 -1.95 -3.32 114.38 110.56 1rli h ARG 102 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1rli h ARG 102 Cb 0.19 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.83 1rli h ARG 102 CO 0.00 0.07 -0.83 1.19 -1.07 0.00 0.00 179.97 179.33 1rli n PHE 103 N -3.13 2.77 0.26 3.04 3.72 -0.70 -4.94 117.46 118.49 1rli n PHE 103 Ca 0.03 -3.92 0.17 0.00 -0.05 0.00 0.00 57.45 53.68 1rli n PHE 103 Cb 0.51 -0.46 0.91 0.00 -0.94 0.00 0.00 39.48 39.50 1rli n PHE 103 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1rli h PRO 104 N 2.98 0.00 -0.32 -1.08 0.13 -1.66 -2.40 132.00 129.65 1rli h PRO 104 Ca 0.12 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 1rli h PRO 104 Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1rli h PRO 104 CO 0.71 0.00 0.01 -0.25 -0.23 0.00 0.00 178.00 178.24 1rli n ASP 105 N -3.71 4.10 -0.06 1.44 8.00 -1.26 -4.74 116.55 120.31 1rli n ASP 105 Ca -0.01 -3.05 -0.09 0.00 0.71 0.00 0.00 54.79 52.34 1rli n ASP 105 Cb 0.19 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.69 1rli n ASP 105 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1rli h PHE 106 N 2.07 -0.93 -0.63 1.24 3.57 -1.76 0.23 116.94 120.73 1rli h PHE 106 Ca 0.02 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1rli h PHE 106 Cb 1.56 0.45 -0.03 0.00 2.79 0.00 0.00 35.95 40.72 1rli h PHE 106 CO 0.62 -0.40 0.13 -0.22 -2.23 0.00 0.00 178.31 176.22 1rli h LYS 107 N -0.34 1.02 -0.24 1.11 3.64 -1.85 -0.63 116.57 119.29 1rli h LYS 107 Ca 0.13 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1rli h LYS 107 Cb 0.55 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1rli h LYS 107 CO -0.45 0.94 0.13 0.37 -2.27 0.00 0.00 179.45 178.17 1rli h GLN 108 N 0.94 0.33 -0.63 1.90 4.15 -1.78 -1.49 115.11 118.52 1rli h GLN 108 Ca 0.19 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 1rli h GLN 108 Cb 0.39 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 1rli h GLN 108 CO 0.01 0.31 0.38 1.96 -1.93 0.00 0.00 178.83 179.55 1rli h GLN 109 N 0.27 0.86 -0.65 1.69 4.20 -0.39 -2.90 115.11 118.19 1rli h GLN 109 Ca 0.08 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1rli h GLN 109 Cb 0.07 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1rli h GLN 109 CO -0.01 0.62 0.18 0.52 -0.67 0.00 0.00 178.83 179.47 1rli h MET 110 N 0.86 1.01 -0.00 1.46 2.86 -0.86 -3.03 114.93 117.23 1rli h MET 110 Ca 0.23 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1rli h MET 110 Cb -0.02 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 1rli h MET 110 CO -0.04 0.88 0.04 0.66 1.06 0.00 0.00 176.91 179.51 1rli h SER 111 N 0.97 0.00 -0.26 1.22 4.64 -1.06 -1.24 113.55 117.82 1rli h SER 111 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1rli h SER 111 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1rli h SER 111 CO -0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 1rli n VAL 112 N -3.09 0.33 -3.22 0.95 0.24 -1.14 -4.21 118.33 108.19 1rli n VAL 112 Ca -0.03 -0.60 -0.28 0.00 -2.04 0.00 0.00 64.34 61.39 1rli n VAL 112 Cb 0.11 0.91 -0.03 0.00 -1.47 0.00 0.00 33.84 33.36 1rli n VAL 112 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1rli s LYS 113 N -1.67 3.64 -0.16 7.34 1.02 -0.47 -4.99 119.74 124.45 1rli s LYS 113 Ca 0.36 0.07 -0.07 0.00 0.02 0.00 0.00 55.97 56.35 1rli s LYS 113 Cb 0.21 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 1rli s LYS 113 CO 0.30 0.14 0.07 -0.65 -0.92 0.00 0.00 175.35 174.30 1rli s GLN 114 N -3.72 3.75 0.08 1.68 -0.21 -0.63 -2.92 119.66 117.70 1rli s GLN 114 Ca 0.45 -0.31 0.09 0.00 0.02 0.00 0.00 55.36 55.61 1rli s GLN 114 Cb -0.11 -3.16 -0.04 0.00 1.00 0.00 0.00 33.01 30.71 1rli s GLN 114 CO 0.31 0.43 -0.21 0.00 -2.12 0.00 0.00 175.29 173.71 1rli s ALA 115 N -0.08 2.54 0.11 6.09 0.00 0.24 -1.15 121.76 129.50 1rli s ALA 115 Ca 0.07 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.75 1rli s ALA 115 Cb -0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1rli s ALA 115 CO 0.01 0.57 -0.08 0.71 0.00 0.00 0.00 175.76 176.96 1rli s TYR 116 N -1.00 1.02 -0.03 0.00 2.02 -0.21 -1.04 117.35 118.11 1rli s TYR 116 Ca 0.15 -0.79 0.04 0.00 -0.37 0.00 0.00 57.07 56.10 1rli s TYR 116 Cb -0.10 -0.56 -0.00 0.00 -0.40 0.00 0.00 41.96 40.89 1rli s TYR 116 CO 0.07 -0.05 -0.13 0.08 -1.57 0.00 0.00 175.55 173.95 1rli s VAL 117 N -3.15 1.06 -0.10 0.71 1.01 -0.81 -0.70 120.40 118.42 1rli s VAL 117 Ca 0.11 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1rli s VAL 117 Cb 0.02 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1rli s VAL 117 CO -0.02 0.31 -0.06 -0.63 0.00 0.00 0.00 175.10 174.71 1rli s ILE 118 N -0.00 0.85 -0.03 2.22 1.01 -0.45 -1.01 121.20 123.79 1rli s ILE 118 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 1rli s ILE 118 Cb -0.08 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.51 1rli s ILE 118 CO 0.01 0.34 0.05 0.00 0.00 0.00 0.00 174.94 175.34 1rli s ALA 119 N 1.68 -0.06 -0.02 9.38 0.00 -0.68 -1.15 121.76 130.91 1rli s ALA 119 Ca 0.03 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.32 1rli s ALA 119 Cb -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1rli s ALA 119 CO -0.07 -0.07 -0.16 0.08 0.00 0.00 0.00 175.76 175.54 1rli s VAL 120 N 0.59 1.28 0.27 0.00 1.01 -1.16 -0.71 120.40 121.67 1rli s VAL 120 Ca -0.05 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 1rli s VAL 120 Cb -0.07 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1rli s VAL 120 CO -0.02 0.37 0.44 -0.83 0.00 0.00 0.00 175.10 175.06 1rli s GLY 121 N -0.24 0.85 0.00 4.51 0.00 -0.83 -0.75 107.32 110.87 1rli s GLY 121 Ca 0.03 -1.12 0.16 0.00 0.00 0.00 0.00 44.72 43.79 1rli s GLY 121 CO 0.00 -0.80 1.08 0.61 0.00 0.00 0.00 173.10 174.00 1rli n GLY 122 N -0.41 0.66 3.06 0.20 0.00 -1.05 -1.46 105.19 106.19 1rli n GLY 122 Ca -0.01 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 1rli n GLY 122 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rli s ASP 123 N -1.29 5.49 -0.91 1.61 2.15 -1.26 -4.84 116.67 117.61 1rli s ASP 123 Ca 0.22 -3.48 -0.14 0.00 0.43 0.00 0.00 52.55 49.57 1rli s ASP 123 Cb 0.14 -1.83 0.02 0.00 -0.30 0.00 0.00 42.92 40.95 1rli s ASP 123 CO 0.21 -0.22 0.27 -3.20 -0.17 0.00 0.00 175.17 172.06 1rli n ASN 124 N 2.61 -1.33 0.03 -0.34 5.15 -1.26 -4.65 115.26 115.45 1rli n ASN 124 Ca 0.17 -0.88 0.10 0.00 -0.60 0.00 0.00 54.58 53.37 1rli n ASN 124 Cb 0.37 -1.06 0.53 0.00 -0.53 0.00 0.00 39.78 39.08 1rli n ASN 124 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1rli h PRO 125 N -0.82 0.31 0.00 1.20 0.13 -1.86 0.32 132.00 131.27 1rli h PRO 125 Ca -0.47 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1rli h PRO 125 Cb 0.94 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 1rli h PRO 125 CO 0.40 0.20 -0.08 0.87 -0.23 0.00 0.00 178.00 179.16 1rli h LYS 126 N 0.32 0.00 0.00 0.86 1.57 -1.87 0.72 116.57 118.16 1rli h LYS 126 Ca 0.18 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.65 1rli h LYS 126 Cb 0.30 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 1rli h LYS 126 CO -0.04 0.08 -1.98 -0.89 -0.57 0.00 0.00 179.45 176.06 1rli n ILE 127 N -3.75 1.25 0.62 1.86 5.41 -0.91 -4.60 119.36 119.23 1rli n ILE 127 Ca -0.02 -0.22 0.09 0.00 1.00 0.00 0.00 62.75 63.60 1rli n ILE 127 Cb 0.18 -1.87 0.39 0.00 -0.71 0.00 0.00 39.64 37.64 1rli n ILE 127 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1rli n LYS 128 N -4.03 0.01 -0.13 0.38 5.02 0.06 -2.64 118.16 116.83 1rli n LYS 128 Ca -0.38 0.20 0.11 0.00 -2.02 0.00 0.00 58.31 56.22 1rli n LYS 128 Cb 0.74 -1.52 0.30 0.00 -0.02 0.00 0.00 35.03 34.52 1rli n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rli n GLY 129 N 0.38 0.88 0.30 0.72 0.00 0.24 -4.40 105.19 103.31 1rli n GLY 129 Ca 0.04 -0.54 -0.04 0.00 0.00 0.00 0.00 46.02 45.48 1rli n GLY 129 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rli h LEU 130 N 3.08 0.81 -1.10 0.99 3.38 -1.70 -2.34 115.31 118.42 1rli h LEU 130 Ca 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1rli h LEU 130 Cb 0.68 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1rli h LEU 130 CO 0.00 0.81 0.47 -0.65 0.09 0.00 0.00 178.44 179.16 1rli h PRO 131 N 0.82 1.08 -0.81 1.13 0.11 -1.85 -0.54 132.00 131.94 1rli h PRO 131 Ca 0.17 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1rli h PRO 131 Cb 0.34 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.19 1rli h PRO 131 CO 0.00 0.77 0.46 1.25 -0.21 0.00 0.00 178.00 180.27 1rli h LEU 132 N 1.10 0.99 -0.74 2.35 5.85 -1.62 0.33 115.31 123.57 1rli h LEU 132 Ca 0.29 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 1rli h LEU 132 Cb -0.03 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1rli h LEU 132 CO -0.05 0.78 0.12 0.40 -0.34 0.00 0.00 178.44 179.35 1rli h ILE 133 N 1.12 1.26 -0.36 4.05 1.08 -0.90 -0.85 117.51 122.91 1rli h ILE 133 Ca 0.29 -1.01 -0.08 0.00 -0.39 0.00 0.00 64.86 63.67 1rli h ILE 133 Cb -0.00 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 1rli h ILE 133 CO -0.05 0.38 -0.12 1.56 -0.69 0.00 0.00 178.15 179.22 1rli h GLN 134 N 1.01 0.64 -0.42 2.37 4.20 -0.22 -0.79 115.11 121.90 1rli h GLN 134 Ca 0.20 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1rli h GLN 134 Cb 0.41 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1rli h GLN 134 CO 0.01 0.75 0.10 1.96 -0.67 0.00 0.00 178.83 180.98 1rli h GLN 135 N 0.58 0.68 -0.85 1.46 4.20 -0.46 -1.53 115.11 119.20 1rli h GLN 135 Ca 0.10 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1rli h GLN 135 Cb 0.56 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 1rli h GLN 135 CO 0.03 0.69 0.50 0.74 -0.67 0.00 0.00 178.83 180.12 1rli h PHE 136 N 0.55 1.13 -0.71 2.96 0.04 -0.84 -0.34 116.94 119.74 1rli h PHE 136 Ca 0.13 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.96 1rli h PHE 136 Cb 0.32 -0.37 -0.06 0.00 2.20 0.00 0.00 35.95 38.04 1rli h PHE 136 CO 0.02 0.76 0.40 1.49 -0.60 0.00 0.00 178.31 180.38 1rli h GLU 137 N 1.17 0.70 -0.48 1.51 4.22 -0.78 0.13 114.58 121.05 1rli h GLU 137 Ca 0.30 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.59 1rli h GLU 137 Cb -0.02 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1rli h GLU 137 CO -0.05 0.46 -0.13 0.45 -2.18 0.00 0.00 179.01 177.56 1rli h HIS 138 N 0.72 1.05 -0.07 0.92 3.86 -0.48 -1.11 115.15 120.04 1rli h HIS 138 Ca 0.32 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1rli h HIS 138 Cb 0.21 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 1rli h HIS 138 CO -0.07 1.02 0.04 0.82 0.86 0.00 0.00 177.93 180.60 1rli h ILE 139 N 0.78 1.07 -0.65 2.45 2.04 -0.55 -0.67 117.51 121.99 1rli h ILE 139 Ca 0.12 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 1rli h ILE 139 Cb 0.69 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1rli h ILE 139 CO 0.05 0.06 0.10 -0.26 0.00 0.00 0.00 178.15 178.10 1rli h PHE 140 N 0.04 1.15 -0.73 1.37 0.04 -0.73 -2.29 116.94 115.79 1rli h PHE 140 Ca 0.03 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 1rli h PHE 140 Cb 0.06 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.86 1rli h PHE 140 CO -0.05 0.97 0.39 1.25 -0.60 0.00 0.00 178.31 180.27 1rli h HIS 141 N 0.99 1.02 -0.80 -0.55 2.76 -1.08 0.15 115.15 117.64 1rli h HIS 141 Ca 0.20 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.36 1rli h HIS 141 Cb 0.45 -0.32 -0.05 0.00 1.55 0.00 0.00 27.41 29.04 1rli h HIS 141 CO 0.03 0.73 0.51 0.35 -1.30 0.00 0.00 177.93 178.25 1rli h PHE 142 N 1.01 0.96 0.00 5.26 3.57 -0.83 -1.05 116.94 125.87 1rli h PHE 142 Ca 0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1rli h PHE 142 Cb 0.06 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1rli h PHE 142 CO 0.00 0.56 0.00 -1.33 -2.23 0.00 0.00 178.31 175.31 1rli n MET 143 N -4.58 0.03 -0.87 1.11 2.81 -0.85 -4.90 117.12 109.86 1rli n MET 143 Ca 0.09 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1rli n MET 143 Cb 0.07 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 1rli n MET 143 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rli n GLY 144 N 1.33 0.58 3.78 3.03 0.00 0.19 -3.66 105.19 110.45 1rli n GLY 144 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1rli n GLY 144 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rli s MET 145 N -0.13 4.54 -0.16 1.61 -1.94 0.28 -4.67 119.30 118.84 1rli s MET 145 Ca 0.00 1.24 -0.28 0.00 -1.71 0.00 0.00 55.69 54.94 1rli s MET 145 Cb 0.00 -2.87 -0.01 0.00 2.01 0.00 0.00 34.83 33.96 1rli s MET 145 CO 0.00 0.33 0.95 -1.12 -0.01 0.00 0.00 175.02 175.18 1rli s SER 146 N -1.57 7.11 -0.86 3.03 0.01 -1.15 -4.23 113.70 116.04 1rli s SER 146 Ca 0.47 1.37 -0.19 0.00 1.31 0.00 0.00 55.95 58.91 1rli s SER 146 Cb -0.19 -2.52 0.12 0.00 0.21 0.00 0.00 66.02 63.64 1rli s SER 146 CO 0.24 -0.49 1.07 0.12 0.41 0.00 0.00 173.24 174.59 1rli s PHE 147 N 2.36 3.04 -0.25 2.43 5.36 -1.26 -0.60 117.98 129.06 1rli s PHE 147 Ca 0.44 -1.22 0.25 0.00 -0.96 0.00 0.00 56.93 55.44 1rli s PHE 147 Cb -0.17 -4.26 0.58 0.00 -0.34 0.00 0.00 43.02 38.83 1rli s PHE 147 CO 0.13 -1.50 1.69 0.87 -1.46 0.00 0.00 175.22 174.95 1rli h LYS 148 N 8.98 0.00 0.00 10.12 1.79 -1.46 -3.48 116.57 132.52 1rli h LYS 148 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1rli h LYS 148 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1rli h LYS 148 CO 1.12 0.07 0.00 0.41 -1.08 0.00 0.00 179.45 179.97 1rli n GLY 149 N 0.81 1.22 3.33 3.86 0.00 -1.25 -5.05 105.19 108.12 1rli n GLY 149 Ca 0.03 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 1rli n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rli s TYR 150 N -2.00 -0.27 -0.03 1.61 -0.85 -1.26 -1.93 117.35 112.62 1rli s TYR 150 Ca 0.00 0.06 -0.01 0.00 -0.52 0.00 0.00 57.07 56.60 1rli s TYR 150 Cb 0.00 0.28 0.03 0.00 0.38 0.00 0.00 41.96 42.65 1rli s TYR 150 CO 0.00 -0.68 0.04 0.08 -1.52 0.00 0.00 175.55 173.47 1rli s VAL 151 N -3.36 -0.02 -0.16 -3.49 1.01 -0.18 -4.96 120.40 109.24 1rli s VAL 151 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 1rli s VAL 151 Cb 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 1rli s VAL 151 CO -0.09 0.14 0.04 -0.76 0.00 0.00 0.00 175.10 174.43 1rli s LEU 152 N 1.53 3.71 0.17 3.92 1.43 -1.26 -1.69 118.68 126.48 1rli s LEU 152 Ca -0.03 0.07 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1rli s LEU 152 Cb -0.13 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1rli s LEU 152 CO -0.03 0.21 -0.14 -0.83 0.23 0.00 0.00 176.35 175.79 1rli s GLY 153 N 0.14 1.28 -0.13 -3.19 0.00 0.11 -4.76 107.32 100.76 1rli s GLY 153 Ca 0.03 -1.52 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 1rli s GLY 153 CO 0.01 -1.60 -0.07 1.85 0.00 0.00 0.00 173.10 173.29 1rli s GLU 154 N -3.31 3.44 -0.17 2.90 2.12 -1.26 -1.96 118.70 120.45 1rli s GLU 154 Ca 0.17 -0.57 -0.30 0.00 0.36 0.00 0.00 54.97 54.63 1rli s GLU 154 Cb -0.02 -2.77 0.14 0.00 0.26 0.00 0.00 34.13 31.73 1rli s GLU 154 CO 0.05 0.30 1.05 0.20 -0.54 0.00 0.00 175.26 176.33 1rli s GLY 155 N 0.16 -0.22 -0.03 -1.50 0.00 -0.54 -4.23 107.32 100.97 1rli s GLY 155 Ca -0.04 2.11 -0.01 0.00 0.00 0.00 0.00 44.72 46.78 1rli s GLY 155 CO 0.04 1.01 -0.03 0.70 0.00 0.00 0.00 173.10 174.81 1rli n ASN 156 N 0.65 1.34 -4.51 1.64 3.02 -1.26 -2.54 115.26 113.59 1rli n ASN 156 Ca -0.08 0.02 -0.28 0.00 -0.03 0.00 0.00 54.58 54.21 1rli n ASN 156 Cb 0.58 -0.07 -0.11 0.00 -0.61 0.00 0.00 39.78 39.57 1rli n ASN 156 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1rli s ARG 157 N -2.06 1.85 0.15 3.52 1.81 -1.26 -4.98 118.95 117.99 1rli s ARG 157 Ca -0.04 -1.26 -0.33 0.00 -1.72 0.00 0.00 55.73 52.38 1rli s ARG 157 Cb 0.01 -2.09 -0.17 0.00 -0.45 0.00 0.00 34.95 32.25 1rli s ARG 157 CO 0.06 0.45 0.97 -2.30 -0.68 0.00 0.00 175.30 173.80 1rli n PRO 158 N 0.44 0.66 0.00 3.54 -0.02 -1.26 -0.86 135.00 137.49 1rli n PRO 158 Ca -0.13 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1rli n PRO 158 Cb 0.54 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1rli n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rli n GLY 159 N 1.84 3.12 0.41 -1.23 0.00 -1.26 -4.88 105.19 103.18 1rli n GLY 159 Ca 0.16 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.39 1rli n GLY 159 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rli h ASP 160 N 0.00 0.25 0.04 1.61 3.32 -1.37 -0.91 116.42 119.36 1rli h ASP 160 Ca 0.00 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1rli h ASP 160 Cb 0.00 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1rli h ASP 160 CO 0.00 0.11 -0.01 -0.29 -1.72 0.00 0.00 179.24 177.33 1rli h ILE 161 N 0.26 0.52 0.00 0.35 6.09 -1.79 -1.74 117.51 121.19 1rli h ILE 161 Ca 0.41 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.83 1rli h ILE 161 Cb 1.19 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.52 1rli h ILE 161 CO -0.10 0.01 0.00 0.18 -3.07 0.00 0.00 178.15 175.17 1rli n LEU 162 N -3.81 0.00 -0.22 2.19 4.77 -0.35 -1.17 117.00 118.42 1rli n LEU 162 Ca -0.03 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 1rli n LEU 162 Cb 0.10 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1rli n LEU 162 CO 0.28 -0.23 0.18 0.54 -1.33 0.00 0.00 177.39 176.82 1rli n ARG 163 N -1.39 0.54 -2.85 3.23 1.74 -0.65 -4.72 116.66 112.57 1rli n ARG 163 Ca 0.04 -0.44 -0.43 0.00 -0.77 0.00 0.00 57.85 56.25 1rli n ARG 163 Cb 0.12 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 1rli n ARG 163 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rli s ASP 164 N -2.76 6.85 0.21 0.55 -1.08 -0.32 -4.85 116.67 115.27 1rli s ASP 164 Ca 0.14 -2.48 -0.09 0.00 -0.52 0.00 0.00 52.55 49.60 1rli s ASP 164 Cb 0.17 -2.44 0.30 0.00 -1.46 0.00 0.00 42.92 39.49 1rli s ASP 164 CO 0.71 -0.98 1.74 0.45 0.52 0.00 0.00 175.17 177.61 1rli h HIS 165 N 7.98 0.38 -0.32 -5.34 3.86 -1.84 -0.34 115.15 119.52 1rli h HIS 165 Ca 0.28 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.51 1rli h HIS 165 Cb 0.93 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1rli h HIS 165 CO 1.19 0.08 0.16 0.37 0.86 0.00 0.00 177.93 180.59 1rli h GLN 166 N 0.39 0.46 -0.46 2.45 4.15 -1.97 -1.41 115.11 118.72 1rli h GLN 166 Ca 0.32 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.61 1rli h GLN 166 Cb 0.42 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1rli h GLN 166 CO -0.33 0.41 0.03 0.00 -1.93 0.00 0.00 178.83 177.01 1rli h ALA 167 N 1.02 0.61 -0.61 3.38 0.00 -1.73 -1.13 119.26 120.81 1rli h ALA 167 Ca 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1rli h ALA 167 Cb 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1rli h ALA 167 CO -0.02 0.38 0.31 -0.07 0.00 0.00 0.00 179.25 179.85 1rli h LEU 168 N 0.64 0.78 -0.37 0.00 3.38 -0.95 0.91 115.31 119.69 1rli h LEU 168 Ca 0.13 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1rli h LEU 168 Cb 0.45 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1rli h LEU 168 CO 0.02 0.67 0.12 -1.28 0.09 0.00 0.00 178.44 178.06 1rli h SER 169 N 0.83 0.54 -0.53 -0.43 0.87 -1.16 -0.80 113.55 112.87 1rli h SER 169 Ca 0.21 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1rli h SER 169 Cb 0.09 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1rli h SER 169 CO -0.03 0.60 0.26 0.00 -0.53 0.00 0.00 176.83 177.13 1rli h ALA 170 N 0.96 0.68 -0.67 6.23 0.00 -0.88 -2.16 119.26 123.42 1rli h ALA 170 Ca 0.12 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1rli h ALA 170 Cb 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1rli h ALA 170 CO -0.00 0.22 0.12 0.00 0.00 0.00 0.00 179.25 179.59 1rli h ALA 171 N 1.10 0.89 0.00 0.00 0.00 -0.64 -1.16 119.26 119.45 1rli h ALA 171 Ca 0.18 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1rli h ALA 171 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1rli h ALA 171 CO -0.03 0.64 -0.20 0.66 0.00 0.00 0.00 179.25 180.32 1rli h SER 172 N 1.02 0.00 0.23 0.00 4.64 -0.88 -2.44 113.55 116.13 1rli h SER 172 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1rli h SER 172 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1rli h SER 172 CO 0.01 0.20 -0.39 0.54 -0.87 0.00 0.00 176.83 176.32 1rli n ARG 173 N -4.20 0.68 -0.20 4.77 1.74 -0.84 -4.56 116.66 114.06 1rli n ARG 173 Ca -0.02 -0.45 -0.01 0.00 -0.77 0.00 0.00 57.85 56.59 1rli n ARG 173 Cb 0.27 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.27 1rli n ARG 173 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1rli h LEU 174 N 1.10 -0.56 -2.12 0.55 5.85 -0.71 -2.42 115.31 117.00 1rli h LEU 174 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1rli h LEU 174 Cb 0.55 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1rli h LEU 174 CO 0.00 -0.20 0.00 0.18 -0.34 0.00 0.00 178.44 178.08 1rli n LEU 175 N -5.41 3.17 -4.74 2.25 4.77 -1.26 -4.96 117.00 110.81 1rli n LEU 175 Ca 0.07 -1.38 -0.41 0.00 -0.03 0.00 0.00 56.01 54.26 1rli n LEU 175 Cb 0.31 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1rli n LEU 175 CO 0.06 0.69 0.82 -0.54 -1.33 0.00 0.00 177.39 177.10 1rli s LYS 176 N -1.51 4.57 0.05 3.23 3.01 -0.91 -4.93 119.74 123.24 1rli s LYS 176 Ca 0.38 1.80 0.17 0.00 -1.01 0.00 0.00 55.97 57.31 1rli s LYS 176 Cb 0.22 -3.24 -0.15 0.00 -1.01 0.00 0.00 37.83 33.65 1rli s LYS 176 CO 0.31 0.06 0.78 0.54 0.51 0.00 0.00 175.35 177.55 1rli n ARG 177 N 2.05 0.62 -3.63 1.68 5.12 -1.26 -4.87 116.66 116.37 1rli n ARG 177 Ca 0.02 0.21 -0.02 0.00 -1.93 0.00 0.00 57.85 56.13 1rli n ARG 177 Cb 0.45 -1.79 -0.05 0.00 -1.16 0.00 0.00 32.46 29.92 1rli n ARG 177 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1rli s SER 178 N -5.74 -1.06 0.00 0.55 0.15 -1.26 -5.27 113.70 101.07 1rli s SER 178 Ca -0.03 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.11 1rli s SER 178 Cb 0.09 2.07 0.00 0.00 -1.71 0.00 0.00 66.02 66.46 1rli s SER 178 CO 0.81 -0.21 0.16 -0.67 1.20 0.00 0.00 173.24 174.53