#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lhi s VAL 2 N 0.00 3.85 0.63 0.58 1.01 -1.26 -0.93 120.40 124.27 1lhi s VAL 2 Ca 0.00 -1.59 -0.15 0.00 0.00 0.00 0.00 61.98 60.24 1lhi s VAL 2 Cb 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1lhi s VAL 2 CO 0.00 -0.52 1.09 -0.36 0.00 0.00 0.00 175.10 175.31 1lhi s PHE 3 N 1.33 2.76 0.29 5.22 0.08 -0.17 -5.01 117.98 122.48 1lhi s PHE 3 Ca 0.03 1.53 -0.12 0.00 0.12 0.00 0.00 56.93 58.50 1lhi s PHE 3 Cb -0.23 -3.11 -0.08 0.00 -0.57 0.00 0.00 43.02 39.03 1lhi s PHE 3 CO -0.00 -1.47 0.64 -1.21 -0.10 0.00 0.00 175.22 173.08 1lhi s GLU 4 N -4.07 3.87 0.07 0.44 0.41 -1.26 -4.84 118.70 113.33 1lhi s GLU 4 Ca 0.66 0.43 -0.20 0.00 -0.41 0.00 0.00 54.97 55.45 1lhi s GLU 4 Cb -0.19 -2.54 -0.07 0.00 -1.78 0.00 0.00 34.13 29.55 1lhi s GLU 4 CO 0.39 0.22 1.33 -0.09 -0.49 0.00 0.00 175.26 176.62 1lhi h ARG 5 N 2.26 -0.29 0.00 1.61 2.43 -1.96 -1.56 114.38 116.87 1lhi h ARG 5 Ca -0.47 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 58.65 1lhi h ARG 5 Cb 1.17 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1lhi h ARG 5 CO 0.67 -0.20 -0.33 0.00 -1.51 0.00 0.00 179.97 178.61 1lhi h GLU 7 N 0.00 0.66 -0.45 0.00 4.81 -1.88 -1.39 114.58 116.33 1lhi h GLU 7 Ca -0.00 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1lhi h GLU 7 Cb 0.61 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1lhi h GLU 7 CO 0.04 0.56 0.07 1.25 -0.73 0.00 0.00 179.01 180.21 1lhi h LEU 8 N 0.59 0.71 -0.60 1.64 5.85 -0.91 -1.58 115.31 121.02 1lhi h LEU 8 Ca 0.16 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1lhi h LEU 8 Cb 0.13 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1lhi h LEU 8 CO -0.02 0.79 0.33 0.00 -0.34 0.00 0.00 178.44 179.20 1lhi h ALA 9 N 0.95 0.79 -0.55 1.25 0.00 -1.06 0.10 119.26 120.74 1lhi h ALA 9 Ca 0.14 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1lhi h ALA 9 Cb 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1lhi h ALA 9 CO 0.01 0.01 0.06 0.00 0.00 0.00 0.00 179.25 179.33 1lhi h ARG 10 N 0.62 0.89 -0.12 0.00 3.08 -1.13 -0.76 114.38 116.96 1lhi h ARG 10 Ca 0.26 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1lhi h ARG 10 Cb 0.14 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1lhi h ARG 10 CO -0.16 0.85 0.04 1.15 -1.07 0.00 0.00 179.97 180.78 1lhi h THR 11 N 0.84 1.17 -0.87 2.04 2.02 -0.53 -2.06 112.91 115.52 1lhi h THR 11 Ca 0.17 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1lhi h THR 11 Cb 0.41 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 1lhi h THR 11 CO 0.01 0.15 0.48 -0.07 0.37 0.00 0.00 175.52 176.46 1lhi h LEU 12 N 0.01 1.09 -0.40 2.58 3.38 -0.63 -1.71 115.31 119.63 1lhi h LEU 12 Ca 0.04 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1lhi h LEU 12 Cb 0.20 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1lhi h LEU 12 CO -0.00 0.88 0.19 0.50 0.09 0.00 0.00 178.44 180.10 1lhi h LYS 13 N 1.22 0.38 0.00 1.13 3.64 -0.89 -2.19 116.57 119.87 1lhi h LYS 13 Ca 0.31 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1lhi h LYS 13 Cb 0.03 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1lhi h LYS 13 CO -0.05 0.25 -0.12 -0.09 -2.27 0.00 0.00 179.45 177.18 1lhi h ARG 14 N 0.40 0.00 -0.04 1.90 2.43 -1.05 -0.40 114.38 117.62 1lhi h ARG 14 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1lhi h ARG 14 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1lhi h ARG 14 CO -0.13 0.12 0.00 1.28 -1.51 0.00 0.00 179.97 179.73 1lhi n LEU 15 N -4.36 0.57 -0.42 3.80 4.77 -0.67 -4.92 117.00 115.78 1lhi n LEU 15 Ca -0.03 -0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 55.70 1lhi n LEU 15 Cb 0.19 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1lhi n LEU 15 CO 0.35 0.11 -0.04 0.61 -1.33 0.00 0.00 177.39 177.09 1lhi n GLY 16 N 0.97 0.26 0.05 -0.72 0.00 -0.16 -4.96 105.19 100.64 1lhi n GLY 16 Ca 0.18 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1lhi n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1lhi n MET 17 N -1.32 0.22 -2.12 1.61 2.81 -0.89 -4.51 117.12 112.92 1lhi n MET 17 Ca -0.04 0.07 -0.42 0.00 -1.81 0.00 0.00 57.70 55.50 1lhi n MET 17 Cb 0.53 -1.64 -0.03 0.00 -0.71 0.00 0.00 33.22 31.37 1lhi n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1lhi s ASP 18 N -3.93 5.85 0.00 7.83 2.15 -1.26 -2.17 116.67 125.13 1lhi s ASP 18 Ca 0.08 0.84 0.00 0.00 0.43 0.00 0.00 52.55 53.90 1lhi s ASP 18 Cb 0.14 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1lhi s ASP 18 CO 0.71 -1.83 0.00 0.61 -0.17 0.00 0.00 175.17 174.49 1lhi n GLY 19 N 5.41 0.73 3.68 2.66 0.00 0.11 -4.87 105.19 112.90 1lhi n GLY 19 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1lhi n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lhi s TYR 20 N -2.38 1.86 -1.58 1.61 5.04 -0.92 -1.55 117.35 119.43 1lhi s TYR 20 Ca 0.00 -0.09 -0.14 0.00 -2.44 0.00 0.00 57.07 54.40 1lhi s TYR 20 Cb 0.00 -4.13 0.10 0.00 0.35 0.00 0.00 41.96 38.29 1lhi s TYR 20 CO 0.00 -4.79 0.86 0.54 -1.34 0.00 0.00 175.55 170.81 1lhi n ARG 21 N 6.54 -4.44 -1.04 4.97 5.12 -1.26 -1.14 116.66 125.41 1lhi n ARG 21 Ca 0.18 0.50 -0.01 0.00 -1.93 0.00 0.00 57.85 56.58 1lhi n ARG 21 Cb 0.40 -5.26 -0.01 0.00 -1.16 0.00 0.00 32.46 26.44 1lhi n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lhi n GLY 22 N -1.60 0.50 3.41 -0.13 0.00 -0.59 -4.99 105.19 101.80 1lhi n GLY 22 Ca 0.01 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1lhi n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lhi s ILE 23 N -1.91 4.35 0.77 -0.61 1.01 -0.29 -4.91 121.20 119.62 1lhi s ILE 23 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 1lhi s ILE 23 Cb 0.00 -3.19 0.06 0.00 0.01 0.00 0.00 42.46 39.34 1lhi s ILE 23 CO 0.00 0.13 1.12 -0.94 0.00 0.00 0.00 174.94 175.25 1lhi s SER 24 N 1.58 4.28 0.22 3.58 1.04 -1.26 0.05 113.70 123.19 1lhi s SER 24 Ca 0.04 2.00 -0.07 0.00 0.48 0.00 0.00 55.95 58.40 1lhi s SER 24 Cb -0.17 -2.55 0.30 0.00 0.10 0.00 0.00 66.02 63.71 1lhi s SER 24 CO 0.05 -2.19 1.81 0.25 0.98 0.00 0.00 173.24 174.13 1lhi h LEU 25 N -0.92 0.59 -1.97 2.42 5.85 -1.90 -0.99 115.31 118.40 1lhi h LEU 25 Ca -0.45 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1lhi h LEU 25 Cb 1.25 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1lhi h LEU 25 CO 0.50 0.36 -0.01 0.00 -0.34 0.00 0.00 178.44 178.95 1lhi h ALA 26 N 1.39 1.98 -0.25 1.25 0.00 -1.92 -0.54 119.26 121.16 1lhi h ALA 26 Ca 0.34 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 1lhi h ALA 26 Cb 0.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1lhi h ALA 26 CO -0.21 0.02 -0.34 -0.91 0.00 0.00 0.00 179.25 177.81 1lhi h ASN 27 N 0.00 0.74 -0.71 0.00 2.35 -1.51 -1.16 115.58 115.29 1lhi h ASN 27 Ca 0.00 -0.50 -0.03 0.00 -0.55 0.00 0.00 56.30 55.22 1lhi h ASN 27 Cb 0.02 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 1lhi h ASN 27 CO 0.00 1.10 0.33 -0.50 -1.65 0.00 0.00 177.43 176.71 1lhi h TRP 28 N 0.40 1.06 -0.15 1.19 4.06 -1.01 -0.70 115.95 120.81 1lhi h TRP 28 Ca 0.03 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 1lhi h TRP 28 Cb 0.92 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 28.75 1lhi h TRP 28 CO 0.08 0.78 0.07 0.52 -3.56 0.00 0.00 178.44 176.33 1lhi h MET 29 N 1.05 0.21 -0.66 0.49 2.86 -1.02 -0.75 114.93 117.11 1lhi h MET 29 Ca 0.25 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.88 1lhi h MET 29 Cb 0.14 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 1lhi h MET 29 CO -0.03 0.25 0.42 0.00 1.06 0.00 0.00 176.91 178.61 1lhi h LEU 31 N 0.84 0.00 -0.84 0.00 5.85 -0.87 -2.31 115.31 117.98 1lhi h LEU 31 Ca 0.25 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1lhi h LEU 31 Cb -0.03 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1lhi h LEU 31 CO -0.08 0.01 0.55 0.00 -0.34 0.00 0.00 178.44 178.58 1lhi h ALA 32 N 0.99 1.07 0.08 1.25 0.00 -0.87 -0.04 119.26 121.75 1lhi h ALA 32 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1lhi h ALA 32 Cb 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1lhi h ALA 32 CO -0.00 0.46 -0.13 -0.22 0.00 0.00 0.00 179.25 179.36 1lhi h LYS 33 N 1.13 -0.25 0.00 0.00 3.11 -0.96 -0.64 116.57 118.96 1lhi h LYS 33 Ca 0.31 0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 58.08 1lhi h LYS 33 Cb -0.12 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 1lhi h LYS 33 CO -0.07 -0.17 -0.41 -1.49 -2.81 0.00 0.00 179.45 174.50 1lhi h TRP 34 N -0.26 0.00 0.17 1.91 4.06 -1.26 -1.29 115.95 119.27 1lhi h TRP 34 Ca 0.02 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.74 1lhi h TRP 34 Cb 0.28 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.46 1lhi h TRP 34 CO -0.15 0.41 -1.01 0.93 -3.56 0.00 0.00 178.44 175.06 1lhi h GLU 35 N 0.00 0.35 0.00 0.49 4.39 -0.85 -3.43 114.58 115.54 1lhi h GLU 35 Ca -0.00 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.10 1lhi h GLU 35 Cb 1.27 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 1lhi h GLU 35 CO 0.05 1.29 0.00 -1.13 -1.16 0.00 0.00 179.01 178.06 1lhi n SER 36 N -4.02 0.16 -1.50 1.42 3.41 -0.29 -4.83 113.62 107.97 1lhi n SER 36 Ca -0.15 -0.69 -0.11 0.00 -0.26 0.00 0.00 58.87 57.66 1lhi n SER 36 Cb 0.89 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.94 1lhi n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lhi n GLY 37 N 0.08 0.08 2.39 5.00 0.00 -0.49 -2.62 105.19 109.63 1lhi n GLY 37 Ca 0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 1lhi n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1lhi n TYR 38 N -3.88 -0.77 -3.60 1.61 0.53 -1.20 -4.78 117.16 105.07 1lhi n TYR 38 Ca -0.07 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.42 1lhi n TYR 38 Cb 0.56 -3.63 -0.11 0.00 -1.03 0.00 0.00 39.34 35.13 1lhi n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1lhi s ASN 39 N -2.24 5.74 0.40 7.72 2.47 -1.08 -1.00 114.94 126.96 1lhi s ASN 39 Ca 0.00 -0.62 0.28 0.00 0.42 0.00 0.00 52.86 52.93 1lhi s ASN 39 Cb 0.00 -2.05 1.00 0.00 -1.45 0.00 0.00 41.25 38.76 1lhi s ASN 39 CO 0.00 -0.26 1.81 0.71 -3.72 0.00 0.00 177.10 175.64 1lhi h THR 40 N 5.66 0.00 -0.04 -5.21 1.35 -1.36 -2.95 112.91 110.37 1lhi h THR 40 Ca -0.30 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1lhi h THR 40 Cb 1.14 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1lhi h THR 40 CO 0.64 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.80 1lhi n ARG 41 N -2.74 2.04 -1.80 4.72 1.85 -1.26 -4.10 116.66 115.37 1lhi n ARG 41 Ca 0.02 -1.51 -0.40 0.00 -1.00 0.00 0.00 57.85 54.96 1lhi n ARG 41 Cb 0.34 -1.47 0.01 0.00 -1.05 0.00 0.00 32.46 30.29 1lhi n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1lhi s ALA 42 N -1.98 3.39 -0.01 2.89 0.00 -1.12 -4.77 121.76 120.16 1lhi s ALA 42 Ca 0.33 1.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.74 1lhi s ALA 42 Cb 0.20 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1lhi s ALA 42 CO 0.31 -1.13 0.12 0.95 0.00 0.00 0.00 175.76 176.01 1lhi s THR 43 N -1.16 0.07 -0.11 0.00 -4.23 -1.26 -0.06 115.64 108.88 1lhi s THR 43 Ca 0.57 -0.55 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 1lhi s THR 43 Cb -0.45 -0.36 0.05 0.00 1.34 0.00 0.00 72.50 73.08 1lhi s THR 43 CO 0.59 -0.30 0.11 0.21 -0.54 0.00 0.00 174.62 174.69 1lhi s ASN 44 N -1.05 1.45 0.03 3.99 2.47 -0.65 -4.99 114.94 116.20 1lhi s ASN 44 Ca -0.11 -0.11 -0.23 0.00 0.42 0.00 0.00 52.86 52.83 1lhi s ASN 44 Cb -0.06 -0.02 -0.06 0.00 -1.45 0.00 0.00 41.25 39.67 1lhi s ASN 44 CO 0.01 -0.29 0.68 -0.47 -3.72 0.00 0.00 177.10 173.31 1lhi s TYR 45 N 2.21 3.73 -0.72 0.43 6.14 -1.26 -1.35 117.35 126.52 1lhi s TYR 45 Ca 0.04 1.35 -0.15 0.00 0.64 0.00 0.00 57.07 58.95 1lhi s TYR 45 Cb -0.14 -2.71 0.19 0.00 0.42 0.00 0.00 41.96 39.72 1lhi s TYR 45 CO -0.07 0.34 0.66 -0.80 0.64 0.00 0.00 175.55 176.33 1lhi s ASN 46 N -0.23 6.53 0.45 4.32 0.01 0.47 -4.94 114.94 121.55 1lhi s ASN 46 Ca 0.35 -2.36 0.11 0.00 -0.71 0.00 0.00 52.86 50.24 1lhi s ASN 46 Cb -0.20 -2.20 1.01 0.00 0.41 0.00 0.00 41.25 40.27 1lhi s ASN 46 CO 0.20 -0.68 2.07 0.00 -1.51 0.00 0.00 177.10 177.19 1lhi h ALA 47 N 8.18 1.85 -0.38 0.60 0.00 -1.96 -0.18 119.26 127.38 1lhi h ALA 47 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1lhi h ALA 47 Cb 1.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1lhi h ALA 47 CO 0.86 0.11 0.25 0.78 0.00 0.00 0.00 179.25 181.25 1lhi h GLY 48 N 0.37 0.53 0.00 0.00 0.00 -1.95 -3.28 103.07 98.75 1lhi h GLY 48 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1lhi h GLY 48 CO -0.03 0.19 0.00 2.09 0.00 0.00 0.00 176.54 178.79 1lhi n ASP 49 N -4.48 0.77 -0.88 0.19 5.75 -1.08 -5.02 116.55 111.80 1lhi n ASP 49 Ca 0.03 -1.23 -0.12 0.00 -0.01 0.00 0.00 54.79 53.46 1lhi n ASP 49 Cb 0.06 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.10 1lhi n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1lhi n ARG 50 N -0.12 -0.90 -3.06 0.11 1.74 -0.10 -4.97 116.66 109.36 1lhi n ARG 50 Ca 0.00 0.89 -0.19 0.00 -0.77 0.00 0.00 57.85 57.78 1lhi n ARG 50 Cb 0.22 -4.91 0.01 0.00 -1.02 0.00 0.00 32.46 26.76 1lhi n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1lhi s SER 51 N -2.80 5.68 0.00 0.55 1.04 -1.20 -4.55 113.70 112.43 1lhi s SER 51 Ca 0.00 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.20 1lhi s SER 51 Cb 0.00 -0.89 -0.01 0.00 0.10 0.00 0.00 66.02 65.22 1lhi s SER 51 CO 0.00 -0.74 -0.07 -0.89 0.98 0.00 0.00 173.24 172.52 1lhi s THR 52 N -2.39 0.55 -0.19 2.02 2.01 -1.26 -0.40 115.64 115.98 1lhi s THR 52 Ca 0.52 -0.38 -0.12 0.00 0.31 0.00 0.00 61.69 62.02 1lhi s THR 52 Cb -0.10 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 1lhi s THR 52 CO 0.34 0.10 0.22 -1.81 -0.69 0.00 0.00 174.62 172.77 1lhi s ASP 53 N -0.32 6.29 -0.04 3.53 1.01 -0.46 -1.14 116.67 125.55 1lhi s ASP 53 Ca 0.01 0.33 0.07 0.00 0.71 0.00 0.00 52.55 53.68 1lhi s ASP 53 Cb -0.03 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 1lhi s ASP 53 CO -0.00 0.11 -0.24 -0.31 0.21 0.00 0.00 175.17 174.93 1lhi s TYR 54 N 0.60 2.41 0.00 4.23 2.02 0.16 -1.63 117.35 125.13 1lhi s TYR 54 Ca 0.12 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 1lhi s TYR 54 Cb -0.12 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 1lhi s TYR 54 CO 0.02 -0.09 0.00 0.41 -1.57 0.00 0.00 175.55 174.32 1lhi n GLY 55 N 2.63 -1.90 0.27 0.71 0.00 0.91 -1.87 105.19 105.93 1lhi n GLY 55 Ca -0.17 -1.39 0.04 0.00 0.00 0.00 0.00 46.02 44.50 1lhi n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lhi h ILE 56 N 0.00 1.11 -0.52 -0.61 2.10 -1.70 -1.87 117.51 116.02 1lhi h ILE 56 Ca 0.00 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.54 1lhi h ILE 56 Cb 0.00 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 36.68 1lhi h ILE 56 CO 0.00 0.14 0.00 0.49 -1.08 0.00 0.00 178.15 177.70 1lhi n PHE 57 N -4.40 0.68 -3.85 2.19 0.99 -1.26 -3.93 117.46 107.87 1lhi n PHE 57 Ca -0.00 -0.35 -0.35 0.00 -0.00 0.00 0.00 57.45 56.75 1lhi n PHE 57 Cb 0.16 -0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.66 1lhi n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1lhi n GLN 58 N 1.52 -1.29 -2.77 -1.08 1.13 -0.70 -4.91 117.38 109.28 1lhi n GLN 58 Ca 0.21 0.33 -0.42 0.00 -1.94 0.00 0.00 57.00 55.19 1lhi n GLN 58 Cb 0.61 -3.75 -0.03 0.00 0.11 0.00 0.00 30.24 27.18 1lhi n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lhi s ILE 59 N -3.60 4.85 0.20 5.09 1.01 -0.78 -4.46 121.20 123.52 1lhi s ILE 59 Ca 0.39 1.96 -0.28 0.00 0.00 0.00 0.00 60.65 62.72 1lhi s ILE 59 Cb -0.16 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 37.95 1lhi s ILE 59 CO 0.90 0.20 0.87 0.21 0.00 0.00 0.00 174.94 177.12 1lhi s ASN 60 N 0.83 7.54 0.22 3.58 3.84 -1.26 -0.67 114.94 129.02 1lhi s ASN 60 Ca 0.49 1.82 0.25 0.00 0.21 0.00 0.00 52.86 55.62 1lhi s ASN 60 Cb -0.21 -2.56 0.91 0.00 -0.55 0.00 0.00 41.25 38.84 1lhi s ASN 60 CO 0.27 0.17 1.74 -1.54 -2.79 0.00 0.00 177.10 174.95 1lhi n SER 61 N 1.58 0.68 -0.11 -4.21 3.41 -0.29 -2.07 113.62 112.61 1lhi n SER 61 Ca -0.03 0.62 -0.04 0.00 -0.26 0.00 0.00 58.87 59.15 1lhi n SER 61 Cb 0.48 -0.78 0.17 0.00 -0.26 0.00 0.00 64.21 63.82 1lhi n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1lhi h ARG 62 N 0.00 0.80 0.00 4.33 2.43 -1.84 -3.40 114.38 116.70 1lhi h ARG 62 Ca 0.00 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1lhi h ARG 62 Cb 0.52 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1lhi h ARG 62 CO 0.00 0.78 -1.00 0.66 -1.51 0.00 0.00 179.97 178.90 1lhi n TYR 63 N -4.23 0.00 -0.09 2.20 4.02 -1.21 -0.29 117.16 117.55 1lhi n TYR 63 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.80 1lhi n TYR 63 Cb 0.28 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.45 1lhi n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1lhi n TRP 64 N -2.08 0.19 -4.24 -0.72 7.02 -0.88 -0.87 117.44 115.86 1lhi n TRP 64 Ca 0.00 0.06 -0.13 0.00 -1.02 0.00 0.00 57.50 56.41 1lhi n TRP 64 Cb 0.50 -1.03 -0.10 0.00 -2.42 0.00 0.00 31.31 28.26 1lhi n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lhi s ASN 66 N -3.16 5.82 0.00 0.00 2.47 0.08 -4.61 114.94 115.55 1lhi s ASN 66 Ca 0.20 0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.58 1lhi s ASN 66 Cb 0.05 -2.02 0.00 0.00 -1.45 0.00 0.00 41.25 37.83 1lhi s ASN 66 CO 0.02 0.14 0.44 -0.90 -3.72 0.00 0.00 177.10 173.08 1lhi n ASP 67 N 3.78 0.88 0.00 -4.21 5.75 -1.26 -1.32 116.55 120.17 1lhi n ASP 67 Ca -0.16 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.67 1lhi n ASP 67 Cb 0.52 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1lhi n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lhi n GLY 68 N 0.09 1.82 1.03 6.12 0.00 -1.26 -4.69 105.19 108.30 1lhi n GLY 68 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1lhi n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1lhi n LYS 69 N -1.49 2.66 0.07 1.61 2.85 -1.26 -4.73 118.16 117.87 1lhi n LYS 69 Ca 0.00 -2.33 -0.21 0.00 -1.05 0.00 0.00 58.31 54.72 1lhi n LYS 69 Cb 0.00 -1.44 -0.14 0.00 -0.65 0.00 0.00 35.03 32.80 1lhi n LYS 69 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1lhi h THR 70 N 3.41 1.44 -0.07 0.58 2.02 -1.84 -3.48 112.91 114.98 1lhi h THR 70 Ca 0.00 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.67 1lhi h THR 70 Cb 0.87 3.07 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 1lhi h THR 70 CO 0.00 0.73 0.00 0.61 0.37 0.00 0.00 175.52 177.23 1lhi n GLY 71 N 1.59 0.45 3.20 2.16 0.00 -1.26 -4.69 105.19 106.64 1lhi n GLY 71 Ca -0.14 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 1lhi n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lhi n GLY 72 N 2.08 -0.51 3.91 -0.02 0.00 -1.26 -4.95 105.19 104.44 1lhi n GLY 72 Ca 0.00 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1lhi n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lhi s ALA 73 N -3.13 3.65 0.42 4.61 0.00 -1.26 -4.97 121.76 121.10 1lhi s ALA 73 Ca 0.37 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.76 1lhi s ALA 73 Cb -0.17 -2.24 -0.06 0.00 0.00 0.00 0.00 23.12 20.65 1lhi s ALA 73 CO 0.45 0.23 0.12 0.14 0.00 0.00 0.00 175.76 176.70 1lhi s VAL 74 N -2.09 2.09 -0.45 0.00 -7.23 0.60 -4.99 120.40 108.32 1lhi s VAL 74 Ca 0.43 -1.81 0.08 0.00 -1.81 0.00 0.00 61.98 58.87 1lhi s VAL 74 Cb -0.11 -2.90 0.28 0.00 0.56 0.00 0.00 36.38 34.21 1lhi s VAL 74 CO 0.31 0.00 0.63 -3.20 -0.31 0.00 0.00 175.10 172.53 1lhi n ASN 75 N -1.17 1.30 -0.08 4.85 5.15 -1.19 -3.62 115.26 120.50 1lhi n ASN 75 Ca -0.04 -2.97 0.06 0.00 -0.60 0.00 0.00 54.58 51.03 1lhi n ASN 75 Cb 0.66 -0.64 0.41 0.00 -0.53 0.00 0.00 39.78 39.68 1lhi n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1lhi h ALA 76 N 3.77 1.75 -0.00 5.20 0.00 -1.02 0.64 119.26 129.61 1lhi h ALA 76 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1lhi h ALA 76 Cb 0.83 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1lhi h ALA 76 CO 0.57 0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.98 1lhi n HIS 78 N -1.09 -2.03 -3.86 0.00 -0.00 0.22 -4.97 115.22 103.48 1lhi n HIS 78 Ca 0.18 0.71 -0.10 0.00 -0.00 0.00 0.00 57.72 58.51 1lhi n HIS 78 Cb 0.21 -4.02 -0.08 0.00 -0.00 0.00 0.00 29.99 26.10 1lhi n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1lhi s LEU 79 N -6.32 1.45 0.36 2.41 1.43 -1.26 -5.08 118.68 111.66 1lhi s LEU 79 Ca 0.26 -0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 52.61 1lhi s LEU 79 Cb -0.07 0.94 -0.10 0.00 0.03 0.00 0.00 46.19 46.99 1lhi s LEU 79 CO 0.81 -0.62 0.98 -0.55 0.23 0.00 0.00 176.35 177.21 1lhi s SER 80 N -2.41 7.11 0.57 2.29 0.15 -1.26 -0.74 113.70 119.41 1lhi s SER 80 Ca -0.01 1.90 0.31 0.00 0.70 0.00 0.00 55.95 58.86 1lhi s SER 80 Cb 0.01 -2.58 1.75 0.00 -1.71 0.00 0.00 66.02 63.49 1lhi s SER 80 CO -0.07 -0.24 2.19 0.00 1.20 0.00 0.00 173.24 176.32 1lhi h SER 82 N 0.00 0.36 0.10 0.00 0.87 -1.91 -1.36 113.55 111.60 1lhi h SER 82 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1lhi h SER 82 Cb 0.16 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1lhi h SER 82 CO 0.01 0.23 -0.02 0.00 -0.53 0.00 0.00 176.83 176.52 1lhi h ALA 83 N 1.72 1.27 -0.25 6.23 0.00 -1.51 -1.57 119.26 125.15 1lhi h ALA 83 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1lhi h ALA 83 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1lhi h ALA 83 CO -0.06 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.49 1lhi n LEU 84 N -3.50 1.47 -0.09 0.00 4.77 -0.51 -3.48 117.00 115.65 1lhi n LEU 84 Ca -0.03 -0.71 0.01 0.00 -0.03 0.00 0.00 56.01 55.26 1lhi n LEU 84 Cb 0.11 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1lhi n LEU 84 CO 0.25 0.35 0.52 0.18 -1.33 0.00 0.00 177.39 177.37 1lhi n LEU 85 N 0.27 2.15 -4.84 2.23 4.77 -0.59 -3.30 117.00 117.69 1lhi n LEU 85 Ca 0.11 -2.07 -0.32 0.00 -0.03 0.00 0.00 56.01 53.71 1lhi n LEU 85 Cb 0.25 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1lhi n LEU 85 CO 0.08 0.54 0.70 -1.10 -1.33 0.00 0.00 177.39 176.28 1lhi s GLN 86 N -1.11 3.54 0.23 3.23 -0.21 -1.23 -4.61 119.66 119.49 1lhi s GLN 86 Ca 0.05 0.95 0.03 0.00 0.02 0.00 0.00 55.36 56.42 1lhi s GLN 86 Cb 0.03 -2.07 0.21 0.00 1.00 0.00 0.00 33.01 32.18 1lhi s GLN 86 CO 0.02 -0.62 1.54 -0.44 -2.12 0.00 0.00 175.29 173.67 1lhi h ASP 87 N 0.19 0.31 -3.13 5.90 5.19 -1.93 -3.42 116.42 119.53 1lhi h ASP 87 Ca -0.45 -0.18 -0.57 0.00 -0.62 0.00 0.00 57.03 55.20 1lhi h ASP 87 Cb 1.20 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 40.57 1lhi h ASP 87 CO 0.60 0.85 0.73 0.21 -3.12 0.00 0.00 179.24 178.51 1lhi s ASN 88 N -6.91 7.14 -0.00 6.45 3.84 -1.26 -4.87 114.94 119.34 1lhi s ASN 88 Ca -0.04 1.44 0.14 0.00 0.21 0.00 0.00 52.86 54.60 1lhi s ASN 88 Cb 0.12 -2.55 0.40 0.00 -0.55 0.00 0.00 41.25 38.67 1lhi s ASN 88 CO 0.81 -0.60 1.33 2.30 -2.79 0.00 0.00 177.10 178.15 1lhi n ILE 89 N 5.07 0.62 -0.24 -5.21 -5.35 -1.26 -4.49 119.36 108.50 1lhi n ILE 89 Ca 0.11 -0.60 0.02 0.00 -0.27 0.00 0.00 62.75 62.00 1lhi n ILE 89 Cb 0.47 0.29 0.14 0.00 -1.74 0.00 0.00 39.64 38.80 1lhi n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1lhi h ALA 90 N 3.82 0.96 -0.25 -1.28 0.00 -1.95 0.85 119.26 121.40 1lhi h ALA 90 Ca 0.00 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1lhi h ALA 90 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1lhi h ALA 90 CO 0.00 -0.11 -0.48 -0.44 0.00 0.00 0.00 179.25 178.22 1lhi h ASP 91 N 0.53 0.74 -0.64 0.00 3.45 -1.86 -1.57 116.42 117.07 1lhi h ASP 91 Ca 0.35 -0.37 -0.05 0.00 0.43 0.00 0.00 57.03 57.39 1lhi h ASP 91 Cb 0.42 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.96 1lhi h ASP 91 CO -0.30 1.10 0.19 0.00 -1.57 0.00 0.00 179.24 178.66 1lhi h ALA 92 N 0.92 0.83 -0.25 3.45 0.00 -1.51 -1.81 119.26 120.90 1lhi h ALA 92 Ca 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1lhi h ALA 92 Cb 1.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1lhi h ALA 92 CO 0.10 0.52 0.10 0.28 0.00 0.00 0.00 179.25 180.24 1lhi h VAL 93 N 0.92 1.17 -0.82 0.00 2.07 -0.81 0.55 116.25 119.33 1lhi h VAL 93 Ca 0.20 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1lhi h VAL 93 Cb 0.31 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1lhi h VAL 93 CO -0.00 0.17 0.53 0.00 0.02 0.00 0.00 177.57 178.29 1lhi h ALA 94 N 0.94 1.59 -0.08 1.67 0.00 -1.05 0.07 119.26 122.42 1lhi h ALA 94 Ca 0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1lhi h ALA 94 Cb 0.18 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1lhi h ALA 94 CO -0.01 0.29 -0.53 0.00 0.00 0.00 0.00 179.25 179.01 1lhi h ALA 96 N 0.44 1.29 -0.74 0.00 0.00 -0.35 0.98 119.26 120.87 1lhi h ALA 96 Ca -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1lhi h ALA 96 Cb 1.19 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1lhi h ALA 96 CO 0.11 0.63 0.42 0.87 0.00 0.00 0.00 179.25 181.28 1lhi h LYS 97 N 1.26 1.03 -0.46 0.00 1.57 -0.96 -2.20 116.57 116.81 1lhi h LYS 97 Ca 0.33 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1lhi h LYS 97 Cb -0.09 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 1lhi h LYS 97 CO -0.07 0.76 0.27 -0.09 -0.57 0.00 0.00 179.45 179.75 1lhi h ARG 98 N 1.02 0.63 -0.38 3.15 9.65 -0.86 -2.63 114.38 124.97 1lhi h ARG 98 Ca 0.26 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.13 1lhi h ARG 98 Cb 0.02 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.42 1lhi h ARG 98 CO -0.04 0.48 0.10 0.28 2.80 0.00 0.00 179.97 183.59 1lhi h VAL 99 N 0.61 0.85 0.00 0.20 2.07 -0.37 -2.17 116.25 117.44 1lhi h VAL 99 Ca 0.16 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1lhi h VAL 99 Cb 0.01 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1lhi h VAL 99 CO -0.03 0.04 0.00 1.33 0.02 0.00 0.00 177.57 178.93 1lhi n VAL 100 N -5.06 0.47 0.69 2.57 0.24 -0.87 -2.61 118.33 113.76 1lhi n VAL 100 Ca 0.02 0.12 0.10 0.00 -2.04 0.00 0.00 64.34 62.54 1lhi n VAL 100 Cb 0.15 -0.76 0.44 0.00 -1.47 0.00 0.00 33.84 32.21 1lhi n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1lhi n ARG 101 N -1.42 0.03 -2.20 7.34 1.74 -0.82 -4.02 116.66 117.31 1lhi n ARG 101 Ca 0.07 0.17 -0.29 0.00 -0.77 0.00 0.00 57.85 57.03 1lhi n ARG 101 Cb 0.22 -1.54 0.02 0.00 -1.02 0.00 0.00 32.46 30.14 1lhi n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1lhi s ASP 102 N -3.16 5.85 0.28 0.55 -0.00 -1.07 -4.96 116.67 114.15 1lhi s ASP 102 Ca 0.10 1.03 0.01 0.00 -0.00 0.00 0.00 52.55 53.69 1lhi s ASP 102 Cb 0.13 -2.06 0.64 0.00 -0.00 0.00 0.00 42.92 41.64 1lhi s ASP 102 CO 0.39 -0.98 1.70 -0.65 -0.00 0.00 0.00 175.17 175.63 1lhi h PRO 103 N -0.24 0.38 0.00 8.23 0.11 -1.89 -1.30 132.00 137.28 1lhi h PRO 103 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1lhi h PRO 103 Cb 1.23 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1lhi h PRO 103 CO 0.62 0.25 -0.01 1.96 -0.21 0.00 0.00 178.00 180.61 1lhi h GLN 104 N 0.39 0.00 0.00 1.05 4.20 -1.91 -3.48 115.11 115.36 1lhi h GLN 104 Ca 0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.22 1lhi h GLN 104 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1lhi h GLN 104 CO -0.51 0.01 0.00 0.41 -0.67 0.00 0.00 178.83 178.07 1lhi n GLY 105 N -1.02 2.29 0.22 3.46 0.00 -0.49 -1.53 105.19 108.12 1lhi n GLY 105 Ca -0.03 -0.46 0.15 0.00 0.00 0.00 0.00 46.02 45.69 1lhi n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lhi h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.91 -2.53 117.51 118.55 1lhi h ILE 106 Ca 0.00 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 1lhi h ILE 106 Cb 0.00 0.76 0.00 0.00 0.47 0.00 0.00 36.82 38.05 1lhi h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1lhi n ARG 107 N -2.58 0.05 0.15 2.19 1.74 -0.58 -2.86 116.66 114.76 1lhi n ARG 107 Ca -0.01 0.25 0.16 0.00 -0.77 0.00 0.00 57.85 57.47 1lhi n ARG 107 Cb 0.08 -1.50 0.74 0.00 -1.02 0.00 0.00 32.46 30.76 1lhi n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lhi h ALA 108 N 2.50 2.08 -2.72 7.54 0.00 -1.59 -3.38 119.26 123.70 1lhi h ALA 108 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 1lhi h ALA 108 Cb 0.20 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.84 1lhi h ALA 108 CO 0.00 -0.36 -0.41 -1.58 0.00 0.00 0.00 179.25 176.91 1lhi s TRP 109 N -4.86 3.22 0.45 0.00 0.51 -1.14 -4.95 118.94 112.18 1lhi s TRP 109 Ca -0.05 -0.03 0.19 0.00 -2.12 0.00 0.00 56.10 54.09 1lhi s TRP 109 Cb 0.17 -2.52 1.18 0.00 -0.81 0.00 0.00 33.47 31.49 1lhi s TRP 109 CO 0.64 -0.33 2.03 -0.24 -0.51 0.00 0.00 176.95 178.54 1lhi h VAL 110 N 5.47 0.94 -0.31 4.03 3.04 -1.90 -0.30 116.25 127.22 1lhi h VAL 110 Ca -0.32 -0.56 -0.02 0.00 -1.01 0.00 0.00 66.70 64.79 1lhi h VAL 110 Cb 1.16 1.32 -0.02 0.00 -2.01 0.00 0.00 31.29 31.74 1lhi h VAL 110 CO 0.64 0.15 0.11 0.00 -1.01 0.00 0.00 177.57 177.46 1lhi h ALA 111 N 1.85 1.62 0.02 3.17 0.00 -1.93 -1.47 119.26 122.52 1lhi h ALA 111 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1lhi h ALA 111 Cb 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1lhi h ALA 111 CO 0.02 0.30 -0.01 2.35 0.00 0.00 0.00 179.25 181.91 1lhi h TRP 112 N 0.43 -0.03 -0.53 0.00 7.01 -1.36 0.24 115.95 121.72 1lhi h TRP 112 Ca 0.11 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.16 1lhi h TRP 112 Cb 0.11 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.13 1lhi h TRP 112 CO 0.00 0.19 0.27 0.00 -2.79 0.00 0.00 178.44 176.11 1lhi h ARG 113 N -0.25 0.50 0.01 2.65 3.08 -1.35 0.17 114.38 119.19 1lhi h ARG 113 Ca -0.00 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.78 1lhi h ARG 113 Cb 0.23 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.18 1lhi h ARG 113 CO 0.00 0.33 -0.98 -0.91 -1.07 0.00 0.00 179.97 177.35 1lhi h ASN 114 N 0.51 0.59 0.00 7.04 2.35 -1.17 -3.34 115.58 121.57 1lhi h ASN 114 Ca 0.23 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1lhi h ASN 114 Cb 0.15 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1lhi h ASN 114 CO -0.17 1.29 -0.98 0.54 -1.65 0.00 0.00 177.43 176.46 1lhi n ARG 115 N -3.75 1.66 0.00 0.81 5.12 0.06 -4.83 116.66 115.73 1lhi n ARG 115 Ca -0.08 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1lhi n ARG 115 Cb 0.85 -1.24 0.00 0.00 -1.16 0.00 0.00 32.46 30.91 1lhi n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1lhi n GLN 117 N -1.93 2.41 -2.53 0.00 7.27 -0.18 -2.60 117.38 119.82 1lhi n GLN 117 Ca 0.00 0.86 -0.21 0.00 0.07 0.00 0.00 57.00 57.72 1lhi n GLN 117 Cb 0.31 -2.64 0.00 0.00 2.41 0.00 0.00 30.24 30.32 1lhi n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1lhi n ASN 118 N 3.15 -5.96 -4.49 1.69 5.03 -1.26 -4.95 115.26 108.47 1lhi n ASN 118 Ca 0.14 -0.08 -0.24 0.00 0.87 0.00 0.00 54.58 55.28 1lhi n ASN 118 Cb 0.32 -4.93 -0.10 0.00 -1.02 0.00 0.00 39.78 34.05 1lhi n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1lhi s ARG 119 N -5.18 1.69 -0.79 3.52 0.52 -1.07 -5.08 118.95 112.56 1lhi s ARG 119 Ca 0.07 -1.85 -0.26 0.00 -0.52 0.00 0.00 55.73 53.17 1lhi s ARG 119 Cb -0.03 -1.51 0.03 0.00 0.52 0.00 0.00 34.95 33.96 1lhi s ARG 119 CO 0.08 0.14 1.38 0.34 0.02 0.00 0.00 175.30 177.26 1lhi s ASP 120 N -3.53 6.12 0.00 0.23 2.15 -1.26 -4.84 116.67 115.55 1lhi s ASP 120 Ca 0.31 -0.58 0.18 0.00 0.43 0.00 0.00 52.55 52.88 1lhi s ASP 120 Cb 0.02 -2.56 0.50 0.00 -0.30 0.00 0.00 42.92 40.58 1lhi s ASP 120 CO 0.14 -1.85 1.42 1.33 -0.17 0.00 0.00 175.17 176.05 1lhi n VAL 121 N 6.59 0.73 0.15 1.11 0.24 -1.26 -4.38 118.33 121.51 1lhi n VAL 121 Ca 0.11 -0.74 0.09 0.00 -2.04 0.00 0.00 64.34 61.77 1lhi n VAL 121 Cb 0.50 0.40 0.60 0.00 -1.47 0.00 0.00 33.84 33.87 1lhi n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1lhi h ARG 122 N 3.32 0.12 -0.97 7.34 3.08 -1.93 -2.22 114.38 123.12 1lhi h ARG 122 Ca 0.00 -0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.20 1lhi h ARG 122 Cb 0.76 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.69 1lhi h ARG 122 CO 0.00 0.08 0.61 -0.56 -1.07 0.00 0.00 179.97 179.03 1lhi h GLN 123 N 0.12 0.75 0.00 0.04 3.07 -1.98 -1.62 115.11 115.49 1lhi h GLN 123 Ca 0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 58.65 58.76 1lhi h GLN 123 Cb 0.18 -0.17 -0.00 0.00 0.08 0.00 0.00 27.48 27.57 1lhi h GLN 123 CO -0.01 0.49 -0.10 1.88 0.09 0.00 0.00 178.83 181.18 1lhi h TYR 124 N 0.77 0.00 -0.01 0.06 0.05 -1.74 -2.84 116.97 113.26 1lhi h TYR 124 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.29 1lhi h TYR 124 Cb 0.78 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.52 1lhi h TYR 124 CO -0.00 0.10 -0.11 1.33 -1.05 0.00 0.00 178.16 178.43 1lhi n VAL 125 N -4.26 0.00 -1.70 -2.88 0.24 -0.76 -4.84 118.33 104.13 1lhi n VAL 125 Ca -0.03 -0.44 -0.43 0.00 -2.04 0.00 0.00 64.34 61.40 1lhi n VAL 125 Cb 0.18 1.21 -0.03 0.00 -1.47 0.00 0.00 33.84 33.73 1lhi n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lhi n GLN 126 N 0.31 2.65 -1.08 7.34 10.64 -0.68 -2.26 117.38 134.29 1lhi n GLN 126 Ca 0.06 0.96 -0.03 0.00 -1.83 0.00 0.00 57.00 56.17 1lhi n GLN 126 Cb 0.29 -2.81 -0.01 0.00 -0.86 0.00 0.00 30.24 26.85 1lhi n GLN 126 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1lhi n GLY 127 N 3.98 0.54 0.13 2.61 0.00 -1.26 -4.91 105.19 106.28 1lhi n GLY 127 Ca 0.17 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1lhi n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lhi n GLY 129 N 1.36 0.33 0.72 0.00 0.00 -1.26 -4.83 105.19 101.51 1lhi n GLY 129 Ca 0.11 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.56 1lhi n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65