#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rem s VAL 2 N 0.00 3.85 0.39 0.58 1.01 -1.26 -1.02 120.40 123.94 1rem s VAL 2 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 1rem s VAL 2 Cb 0.00 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 1rem s VAL 2 CO 0.00 0.24 1.05 -0.36 0.00 0.00 0.00 175.10 176.03 1rem s PHE 3 N 1.52 3.31 0.63 5.22 0.40 -0.11 -4.99 117.98 123.96 1rem s PHE 3 Ca 0.04 1.65 -0.14 0.00 -0.60 0.00 0.00 56.93 57.89 1rem s PHE 3 Cb -0.16 -3.13 -0.02 0.00 0.51 0.00 0.00 43.02 40.22 1rem s PHE 3 CO 0.01 -0.58 1.05 -1.21 0.70 0.00 0.00 175.22 175.19 1rem s GLU 4 N -2.39 3.25 0.12 0.44 0.41 -1.26 -4.85 118.70 114.41 1rem s GLU 4 Ca 0.56 1.07 -0.23 0.00 -0.41 0.00 0.00 54.97 55.96 1rem s GLU 4 Cb -0.23 -2.03 -0.06 0.00 -1.78 0.00 0.00 34.13 30.03 1rem s GLU 4 CO 0.28 -0.86 1.69 -0.09 -0.49 0.00 0.00 175.26 175.80 1rem h ARG 5 N 0.02 -0.15 0.00 1.61 2.43 -1.96 -2.20 114.38 114.12 1rem h ARG 5 Ca -0.46 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.70 1rem h ARG 5 Cb 1.21 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1rem h ARG 5 CO 0.58 -0.10 -0.13 0.00 -1.51 0.00 0.00 179.97 178.80 1rem h GLU 7 N 0.00 0.66 -0.32 0.00 4.81 -1.86 -2.14 114.58 115.73 1rem h GLU 7 Ca -0.00 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 58.95 1rem h GLU 7 Cb 0.91 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1rem h GLU 7 CO 0.02 0.75 -0.11 1.25 -0.73 0.00 0.00 179.01 180.18 1rem h LEU 8 N 0.48 0.66 -0.66 1.64 5.85 -1.27 -1.94 115.31 120.07 1rem h LEU 8 Ca 0.11 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.52 1rem h LEU 8 Cb 0.44 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1rem h LEU 8 CO 0.02 0.89 0.34 0.00 -0.34 0.00 0.00 178.44 179.35 1rem h ALA 9 N 0.79 0.88 -0.45 1.25 0.00 -1.42 0.15 119.26 120.46 1rem h ALA 9 Ca 0.08 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1rem h ALA 9 Cb 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1rem h ALA 9 CO 0.04 -0.02 -0.22 0.00 0.00 0.00 0.00 179.25 179.05 1rem h ARG 10 N 0.61 0.94 -0.21 0.00 3.08 -1.31 -1.32 114.38 116.18 1rem h ARG 10 Ca 0.31 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1rem h ARG 10 Cb 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1rem h ARG 10 CO -0.22 1.08 0.09 1.15 -1.07 0.00 0.00 179.97 181.00 1rem h THR 11 N 0.78 1.15 -0.58 2.04 2.02 -0.61 -0.20 112.91 117.51 1rem h THR 11 Ca 0.10 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1rem h THR 11 Cb 0.79 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1rem h THR 11 CO 0.07 0.14 0.22 -0.07 0.37 0.00 0.00 175.52 176.25 1rem h LEU 12 N 0.20 0.77 -0.27 2.58 3.38 -0.69 -1.33 115.31 119.95 1rem h LEU 12 Ca 0.07 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1rem h LEU 12 Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1rem h LEU 12 CO -0.01 0.70 -0.13 0.50 0.09 0.00 0.00 178.44 179.60 1rem h LYS 13 N 0.83 0.56 -0.10 1.13 3.64 -0.92 -1.52 116.57 120.19 1rem h LYS 13 Ca 0.20 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1rem h LYS 13 Cb 0.18 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1rem h LYS 13 CO -0.02 0.80 0.07 -0.09 -2.27 0.00 0.00 179.45 177.95 1rem h ARG 14 N 0.29 0.08 -0.49 1.90 2.43 -0.68 -1.51 114.38 116.40 1rem h ARG 14 Ca 0.06 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1rem h ARG 14 Cb 0.63 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1rem h ARG 14 CO 0.04 0.05 0.00 1.28 -1.51 0.00 0.00 179.97 179.83 1rem n LEU 15 N -4.52 2.58 -0.06 3.80 4.77 -0.53 -4.95 117.00 118.09 1rem n LEU 15 Ca -0.01 -1.30 -0.01 0.00 -0.03 0.00 0.00 56.01 54.67 1rem n LEU 15 Cb 0.13 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1rem n LEU 15 CO 0.34 0.57 -0.01 0.61 -1.33 0.00 0.00 177.39 177.58 1rem n GLY 16 N 1.08 0.38 0.15 -0.72 0.00 -0.57 -4.97 105.19 100.54 1rem n GLY 16 Ca 0.15 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.29 1rem n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1rem h MET 17 N 0.00 0.00 -6.20 1.61 2.86 -1.45 -3.39 114.93 108.36 1rem h MET 17 Ca -0.01 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.06 1rem h MET 17 Cb 0.56 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1rem h MET 17 CO 0.02 0.16 1.31 0.34 1.06 0.00 0.00 176.91 179.79 1rem s ASP 18 N -5.94 5.75 0.00 1.22 2.15 -1.26 -2.18 116.67 116.41 1rem s ASP 18 Ca 0.02 1.20 0.00 0.00 0.43 0.00 0.00 52.55 54.21 1rem s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1rem s ASP 18 CO 0.75 -1.84 0.00 0.61 -0.17 0.00 0.00 175.17 174.51 1rem n GLY 19 N 5.49 0.74 3.64 2.66 0.00 0.37 -4.90 105.19 113.20 1rem n GLY 19 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1rem n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rem s TYR 20 N -2.70 1.26 -1.54 1.61 5.04 -0.92 -0.32 117.35 119.78 1rem s TYR 20 Ca 0.00 -0.18 -0.04 0.00 -2.44 0.00 0.00 57.07 54.41 1rem s TYR 20 Cb 0.00 -4.16 0.01 0.00 0.35 0.00 0.00 41.96 38.16 1rem s TYR 20 CO 0.00 -5.14 0.39 0.54 -1.34 0.00 0.00 175.55 170.00 1rem n ARG 21 N 7.86 -3.69 -0.19 4.97 5.12 -1.26 -1.87 116.66 127.59 1rem n ARG 21 Ca 0.22 0.86 0.00 0.00 -1.93 0.00 0.00 57.85 57.00 1rem n ARG 21 Cb 0.42 -5.63 0.00 0.00 -1.16 0.00 0.00 32.46 26.09 1rem n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rem n GLY 22 N -1.29 2.13 3.62 -0.13 0.00 0.56 -5.01 105.19 105.07 1rem n GLY 22 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1rem n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rem s ILE 23 N -3.02 4.73 0.71 -0.61 1.01 -0.78 -4.80 121.20 118.43 1rem s ILE 23 Ca 0.00 1.32 -0.13 0.00 0.00 0.00 0.00 60.65 61.84 1rem s ILE 23 Cb 0.00 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.28 1rem s ILE 23 CO 0.00 -0.30 1.09 -0.94 0.00 0.00 0.00 174.94 174.79 1rem s SER 24 N 1.62 4.92 0.36 3.58 1.04 -1.26 -0.48 113.70 123.48 1rem s SER 24 Ca 0.35 1.87 0.05 0.00 0.48 0.00 0.00 55.95 58.70 1rem s SER 24 Cb -0.14 -2.53 0.72 0.00 0.10 0.00 0.00 66.02 64.17 1rem s SER 24 CO 0.13 -1.75 1.97 0.25 0.98 0.00 0.00 173.24 174.82 1rem h LEU 25 N -0.52 0.68 -0.99 2.42 5.85 -1.91 -1.93 115.31 118.91 1rem h LEU 25 Ca -0.45 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1rem h LEU 25 Cb 1.23 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1rem h LEU 25 CO 0.53 0.45 0.36 0.00 -0.34 0.00 0.00 178.44 179.44 1rem h ALA 26 N 1.61 1.21 -0.42 1.25 0.00 -1.92 0.30 119.26 121.29 1rem h ALA 26 Ca 0.29 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1rem h ALA 26 Cb 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1rem h ALA 26 CO -0.09 0.60 -0.21 -0.91 0.00 0.00 0.00 179.25 178.64 1rem h ASN 27 N 1.08 0.91 -0.68 0.00 2.35 -1.68 -1.17 115.58 116.39 1rem h ASN 27 Ca 0.26 -0.41 -0.06 0.00 -0.55 0.00 0.00 56.30 55.55 1rem h ASN 27 Cb 0.11 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1rem h ASN 27 CO -0.03 1.12 0.20 -0.50 -1.65 0.00 0.00 177.43 176.57 1rem h TRP 28 N 0.71 1.10 -0.50 1.19 4.06 -0.98 -1.82 115.95 119.71 1rem h TRP 28 Ca 0.09 -0.11 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 1rem h TRP 28 Cb 0.78 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.60 1rem h TRP 28 CO 0.06 0.89 0.17 0.52 -3.56 0.00 0.00 178.44 176.51 1rem h MET 29 N 0.99 0.76 -0.12 0.49 2.86 -0.85 -1.25 114.93 117.82 1rem h MET 29 Ca 0.22 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1rem h MET 29 Cb 0.31 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1rem h MET 29 CO -0.01 0.70 0.01 0.00 1.06 0.00 0.00 176.91 178.68 1rem h LEU 31 N 0.06 0.47 -0.85 0.00 8.10 -1.16 -2.13 115.31 119.80 1rem h LEU 31 Ca 0.05 -0.11 -0.12 0.00 0.11 0.00 0.00 57.88 57.81 1rem h LEU 31 Cb 0.05 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.14 1rem h LEU 31 CO -0.08 0.61 -0.43 0.00 -4.11 0.00 0.00 178.44 174.43 1rem h ALA 32 N 1.44 1.02 -0.09 0.17 0.00 -0.63 0.93 119.26 122.09 1rem h ALA 32 Ca 0.09 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1rem h ALA 32 Cb 0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rem h ALA 32 CO 0.03 0.62 -0.10 -0.22 0.00 0.00 0.00 179.25 179.58 1rem h LYS 33 N 0.27 0.23 0.00 0.00 1.63 -0.62 -2.33 116.57 115.74 1rem h LYS 33 Ca 0.02 -0.12 -0.08 0.00 -0.85 0.00 0.00 60.65 59.61 1rem h LYS 33 Cb 0.87 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1rem h LYS 33 CO 0.07 0.65 -0.40 -1.49 -3.45 0.00 0.00 179.45 174.83 1rem h TRP 34 N -0.18 0.00 0.11 1.91 4.06 -1.30 -0.35 115.95 120.19 1rem h TRP 34 Ca 0.01 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.76 1rem h TRP 34 Cb 0.61 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.78 1rem h TRP 34 CO 0.09 0.40 -1.01 0.93 -3.56 0.00 0.00 178.44 175.29 1rem h GLU 35 N 0.00 0.24 0.00 0.49 4.39 -0.84 -3.44 114.58 115.42 1rem h GLU 35 Ca -0.00 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1rem h GLU 35 Cb 0.87 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1rem h GLU 35 CO 0.05 1.19 0.00 -1.13 -1.16 0.00 0.00 179.01 177.97 1rem n SER 36 N -4.10 0.14 -1.42 1.42 3.41 -0.91 -4.88 113.62 107.28 1rem n SER 36 Ca -0.19 -0.70 -0.13 0.00 -0.26 0.00 0.00 58.87 57.59 1rem n SER 36 Cb 0.82 0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.83 1rem n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rem n GLY 37 N 0.07 -0.02 2.35 5.00 0.00 -0.14 -2.34 105.19 110.11 1rem n GLY 37 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 1rem n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rem n TYR 38 N -3.88 -0.45 -3.62 1.61 4.01 -1.18 -4.74 117.16 108.90 1rem n TYR 38 Ca -0.15 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.21 1rem n TYR 38 Cb 0.60 -2.99 -0.11 0.00 -0.31 0.00 0.00 39.34 36.52 1rem n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1rem s ASN 39 N -2.51 5.75 0.54 7.72 2.47 -0.99 -0.93 114.94 126.99 1rem s ASN 39 Ca 0.00 -0.27 0.32 0.00 0.42 0.00 0.00 52.86 53.34 1rem s ASN 39 Cb 0.00 -2.06 1.42 0.00 -1.45 0.00 0.00 41.25 39.16 1rem s ASN 39 CO 0.00 -0.13 2.01 0.71 -3.72 0.00 0.00 177.10 175.97 1rem h THR 40 N 5.50 0.17 -0.00 -5.21 1.35 -1.41 -3.06 112.91 110.25 1rem h THR 40 Ca -0.34 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1rem h THR 40 Cb 1.17 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1rem h THR 40 CO 0.59 0.05 -0.25 0.54 -0.25 0.00 0.00 175.52 176.20 1rem n ARG 41 N -3.21 0.33 -1.75 4.72 5.12 -1.26 -4.06 116.66 116.55 1rem n ARG 41 Ca -0.00 -0.14 -0.42 0.00 -1.93 0.00 0.00 57.85 55.35 1rem n ARG 41 Cb 0.29 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.07 1rem n ARG 41 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rem s ALA 42 N -2.77 3.86 -0.02 7.54 0.00 -1.20 -4.75 121.76 124.43 1rem s ALA 42 Ca 0.19 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1rem s ALA 42 Cb 0.19 -3.71 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1rem s ALA 42 CO 0.58 -1.01 0.00 0.95 0.00 0.00 0.00 175.76 176.28 1rem s THR 43 N 1.72 0.07 -0.01 0.00 -4.23 -1.26 0.73 115.64 112.66 1rem s THR 43 Ca 0.76 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 61.36 1rem s THR 43 Cb -0.48 -0.14 0.01 0.00 1.34 0.00 0.00 72.50 73.23 1rem s THR 43 CO 0.33 0.08 -0.03 0.20 -0.54 0.00 0.00 174.62 174.66 1rem s ASN 44 N 0.62 0.50 0.11 3.99 -0.87 -0.48 -4.98 114.94 113.83 1rem s ASN 44 Ca -0.06 -0.07 -0.30 0.00 -1.57 0.00 0.00 52.86 50.86 1rem s ASN 44 Cb -0.08 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.25 40.96 1rem s ASN 44 CO -0.01 0.01 1.16 -0.47 -2.57 0.00 0.00 177.10 175.21 1rem s TYR 45 N 0.24 3.49 -0.54 2.20 5.04 -1.26 0.06 117.35 126.58 1rem s TYR 45 Ca -0.02 1.42 -0.19 0.00 -2.44 0.00 0.00 57.07 55.84 1rem s TYR 45 Cb -0.05 -3.37 0.08 0.00 0.35 0.00 0.00 41.96 38.96 1rem s TYR 45 CO -0.00 -1.02 0.64 -0.80 -1.34 0.00 0.00 175.55 173.03 1rem s ASN 46 N 0.60 6.20 0.31 4.32 0.02 0.03 -4.90 114.94 121.52 1rem s ASN 46 Ca 0.55 -1.12 0.06 0.00 -1.02 0.00 0.00 52.86 51.33 1rem s ASN 46 Cb -0.29 -2.29 0.74 0.00 0.02 0.00 0.00 41.25 39.43 1rem s ASN 46 CO 0.32 -0.96 1.79 0.00 0.02 0.00 0.00 177.10 178.27 1rem h ALA 47 N 9.05 1.70 -0.31 0.60 0.00 -1.94 -2.50 119.26 125.85 1rem h ALA 47 Ca -0.28 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rem h ALA 47 Cb 1.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1rem h ALA 47 CO 1.01 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1rem n GLY 48 N -1.35 1.55 0.26 0.00 0.00 -1.26 -4.34 105.19 100.05 1rem n GLY 48 Ca 0.22 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.66 1rem n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rem n ASP 49 N 1.20 1.66 -4.01 1.61 2.03 -0.96 -5.01 116.55 113.07 1rem n ASP 49 Ca 0.16 -1.36 -0.32 0.00 0.52 0.00 0.00 54.79 53.79 1rem n ASP 49 Cb 0.53 -0.02 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 1rem n ASP 49 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1rem n ARG 50 N 0.30 -1.78 -2.48 -0.67 1.74 -1.08 -4.93 116.66 107.76 1rem n ARG 50 Ca 0.04 0.28 -0.05 0.00 -0.77 0.00 0.00 57.85 57.35 1rem n ARG 50 Cb 0.18 -3.85 0.00 0.00 -1.02 0.00 0.00 32.46 27.77 1rem n ARG 50 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1rem n SER 51 N -2.75 -0.96 -3.99 0.55 3.41 -1.23 -4.21 113.62 104.44 1rem n SER 51 Ca -0.24 -1.83 -0.13 0.00 -0.26 0.00 0.00 58.87 56.42 1rem n SER 51 Cb 0.65 1.64 -0.13 0.00 -0.26 0.00 0.00 64.21 66.11 1rem n SER 51 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1rem s THR 52 N -2.59 0.35 -0.13 6.66 2.01 -1.26 -0.79 115.64 119.90 1rem s THR 52 Ca 0.10 -0.67 -0.08 0.00 0.31 0.00 0.00 61.69 61.35 1rem s THR 52 Cb -0.02 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 1rem s THR 52 CO 0.07 -0.22 0.16 -1.81 -0.69 0.00 0.00 174.62 172.14 1rem s ASP 53 N -0.94 6.39 -0.03 3.53 1.11 0.11 -1.16 116.67 125.68 1rem s ASP 53 Ca -0.06 0.47 0.05 0.00 0.18 0.00 0.00 52.55 53.18 1rem s ASP 53 Cb -0.06 -2.09 -0.01 0.00 1.07 0.00 0.00 42.92 41.83 1rem s ASP 53 CO -0.00 0.36 -0.18 -0.31 1.18 0.00 0.00 175.17 176.21 1rem s TYR 54 N -0.77 1.76 0.00 4.23 1.51 -0.27 -1.39 117.35 122.43 1rem s TYR 54 Ca 0.15 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1rem s TYR 54 Cb -0.12 -1.16 0.00 0.00 -0.11 0.00 0.00 41.96 40.57 1rem s TYR 54 CO 0.04 -0.12 0.00 0.41 -1.11 0.00 0.00 175.55 174.77 1rem n GLY 55 N 2.92 -1.52 0.35 0.71 0.00 0.22 -1.52 105.19 106.36 1rem n GLY 55 Ca -0.17 -1.26 0.11 0.00 0.00 0.00 0.00 46.02 44.70 1rem n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1rem h ILE 56 N 0.00 0.77 -0.65 -0.61 2.10 -1.68 -0.58 117.51 116.86 1rem h ILE 56 Ca 0.00 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1rem h ILE 56 Cb 0.00 -0.12 0.00 0.00 -1.09 0.00 0.00 36.82 35.61 1rem h ILE 56 CO 0.00 0.15 0.00 0.49 -1.08 0.00 0.00 178.15 177.71 1rem n PHE 57 N -4.74 0.86 -3.90 2.19 3.72 -1.26 -4.06 117.46 110.27 1rem n PHE 57 Ca 0.22 -0.44 -0.39 0.00 -0.05 0.00 0.00 57.45 56.78 1rem n PHE 57 Cb 0.50 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.06 1rem n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1rem n GLN 58 N 1.58 -0.70 -2.81 -1.08 1.13 -0.23 -4.91 117.38 110.36 1rem n GLN 58 Ca 0.23 0.30 -0.41 0.00 -1.94 0.00 0.00 57.00 55.18 1rem n GLN 58 Cb 0.61 -3.03 -0.04 0.00 0.11 0.00 0.00 30.24 27.90 1rem n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1rem s ILE 59 N -3.43 4.73 -0.12 5.09 -1.09 -0.57 -4.44 121.20 121.37 1rem s ILE 59 Ca 0.42 1.90 -0.29 0.00 -2.23 0.00 0.00 60.65 60.45 1rem s ILE 59 Cb -0.20 -4.25 -0.03 0.00 -1.58 0.00 0.00 42.46 36.40 1rem s ILE 59 CO 0.93 0.27 1.39 0.21 -1.23 0.00 0.00 174.94 176.50 1rem s ASN 60 N 0.41 6.86 0.00 3.58 3.84 -1.26 -1.11 114.94 127.26 1rem s ASN 60 Ca 0.46 1.88 0.09 0.00 0.21 0.00 0.00 52.86 55.50 1rem s ASN 60 Cb -0.21 -2.54 0.44 0.00 -0.55 0.00 0.00 41.25 38.39 1rem s ASN 60 CO 0.26 -0.80 1.21 -1.54 -2.79 0.00 0.00 177.10 173.44 1rem n SER 61 N 6.66 0.00 0.04 -4.21 3.41 -0.31 -1.69 113.62 117.53 1rem n SER 61 Ca 0.15 0.26 -0.08 0.00 -0.26 0.00 0.00 58.87 58.94 1rem n SER 61 Cb 0.44 -0.35 -0.13 0.00 -0.26 0.00 0.00 64.21 63.92 1rem n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1rem h ARG 62 N 0.00 0.02 0.00 4.33 2.43 -1.83 -3.41 114.38 115.92 1rem h ARG 62 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1rem h ARG 62 Cb 0.11 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1rem h ARG 62 CO 0.00 0.88 -0.97 0.66 -1.51 0.00 0.00 179.97 179.03 1rem n TYR 63 N -3.28 0.00 -0.02 2.20 4.01 -0.99 -0.91 117.16 118.17 1rem n TYR 63 Ca -0.05 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.66 1rem n TYR 63 Cb 0.98 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.98 1rem n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1rem n TRP 64 N -1.64 0.00 -4.13 -0.72 7.02 -0.68 -0.49 117.44 116.80 1rem n TRP 64 Ca 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.32 1rem n TRP 64 Cb 0.17 -0.19 -0.11 0.00 -2.42 0.00 0.00 31.31 28.76 1rem n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1rem s ASN 66 N -1.85 6.16 0.00 0.00 2.47 0.01 -4.37 114.94 117.36 1rem s ASN 66 Ca -0.03 0.10 0.19 0.00 0.42 0.00 0.00 52.86 53.54 1rem s ASN 66 Cb -0.08 -2.18 0.23 0.00 -1.45 0.00 0.00 41.25 37.77 1rem s ASN 66 CO 0.01 -0.16 1.17 -0.90 -3.72 0.00 0.00 177.10 173.50 1rem n ASP 67 N 5.24 2.80 -0.43 -4.21 5.75 -1.26 -1.35 116.55 123.08 1rem n ASP 67 Ca -0.10 -1.84 -0.06 0.00 -0.01 0.00 0.00 54.79 52.78 1rem n ASP 67 Cb 0.51 -0.08 -0.02 0.00 -1.03 0.00 0.00 41.12 40.49 1rem n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rem n GLY 68 N 1.11 0.78 0.85 6.12 0.00 -1.26 -4.83 105.19 107.96 1rem n GLY 68 Ca 0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 1rem n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rem n LYS 69 N -2.25 0.00 -4.31 1.61 2.85 -1.26 -5.09 118.16 109.71 1rem n LYS 69 Ca -0.06 -0.82 -0.34 0.00 -1.05 0.00 0.00 58.31 56.04 1rem n LYS 69 Cb 0.26 0.15 -0.14 0.00 -0.65 0.00 0.00 35.03 34.65 1rem n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1rem s THR 70 N 0.00 3.39 0.20 0.58 2.01 -1.26 -4.98 115.64 115.58 1rem s THR 70 Ca 0.05 -0.52 -0.31 0.00 0.31 0.00 0.00 61.69 61.23 1rem s THR 70 Cb 0.06 -2.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.98 1rem s THR 70 CO -0.02 0.47 1.43 -2.84 -0.69 0.00 0.00 174.62 172.97 1rem s PRO 71 N 0.85 4.29 -1.30 4.92 0.02 -1.26 -3.84 135.00 138.68 1rem s PRO 71 Ca -0.02 2.23 -0.02 0.00 0.02 0.00 0.00 61.00 63.21 1rem s PRO 71 Cb -0.15 -3.16 -0.00 0.00 0.02 0.00 0.00 34.50 31.21 1rem s PRO 71 CO 0.01 -0.43 0.68 0.41 -0.33 0.00 0.00 177.00 177.34 1rem n GLY 72 N 2.78 -0.36 3.89 0.52 0.00 -1.26 -4.99 105.19 105.77 1rem n GLY 72 Ca 0.09 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 1rem n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rem s ALA 73 N -3.68 3.39 -0.14 4.61 0.00 -1.25 -4.94 121.76 119.75 1rem s ALA 73 Ca 0.05 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1rem s ALA 73 Cb -0.01 -2.63 -0.09 0.00 0.00 0.00 0.00 23.12 20.38 1rem s ALA 73 CO 0.82 -0.13 -0.12 1.33 0.00 0.00 0.00 175.76 177.66 1rem n VAL 74 N -1.66 0.81 -2.79 0.00 0.24 -0.09 -5.00 118.33 109.85 1rem n VAL 74 Ca 0.01 -0.31 -0.10 0.00 -2.04 0.00 0.00 64.34 61.90 1rem n VAL 74 Cb 0.54 -0.99 0.05 0.00 -1.47 0.00 0.00 33.84 31.97 1rem n VAL 74 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1rem n ASN 75 N -2.90 -2.23 0.29 -1.34 2.85 -1.05 -4.92 115.26 105.96 1rem n ASN 75 Ca -0.25 -0.36 0.19 0.00 -0.11 0.00 0.00 54.58 54.06 1rem n ASN 75 Cb 0.77 -3.13 0.93 0.00 1.24 0.00 0.00 39.78 39.59 1rem n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1rem h ALA 76 N 0.47 1.00 0.00 5.20 0.00 -0.83 -1.16 119.26 123.93 1rem h ALA 76 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1rem h ALA 76 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rem h ALA 76 CO 0.28 0.00 -0.49 0.00 0.00 0.00 0.00 179.25 179.04 1rem n HIS 78 N -1.61 -2.28 -4.31 0.00 -0.00 -0.44 -4.97 115.22 101.60 1rem n HIS 78 Ca 0.05 0.91 -0.23 0.00 -0.00 0.00 0.00 57.72 58.45 1rem n HIS 78 Cb 0.36 -4.36 -0.13 0.00 -0.00 0.00 0.00 29.99 25.86 1rem n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1rem s LEU 79 N -7.05 2.27 0.00 2.41 1.43 -1.26 -5.06 118.68 111.43 1rem s LEU 79 Ca 0.41 -0.64 -0.25 0.00 -1.03 0.00 0.00 54.13 52.62 1rem s LEU 79 Cb -0.20 -0.81 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 1rem s LEU 79 CO 0.80 0.04 0.77 -0.55 0.23 0.00 0.00 176.35 177.65 1rem s SER 80 N -1.74 7.16 0.56 2.29 0.15 -1.26 -0.81 113.70 120.04 1rem s SER 80 Ca 0.05 1.39 0.27 0.00 0.70 0.00 0.00 55.95 58.36 1rem s SER 80 Cb -0.10 -2.46 1.48 0.00 -1.71 0.00 0.00 66.02 63.23 1rem s SER 80 CO 0.03 -0.06 2.01 0.00 1.20 0.00 0.00 173.24 176.42 1rem h SER 82 N 0.00 0.00 0.38 0.00 4.64 -1.92 -1.52 113.55 115.12 1rem h SER 82 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1rem h SER 82 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1rem h SER 82 CO -0.00 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 1rem h ALA 83 N 1.92 1.00 -0.56 5.18 0.00 -1.44 -0.44 119.26 124.92 1rem h ALA 83 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rem h ALA 83 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rem h ALA 83 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1rem n LEU 84 N -3.01 3.54 -0.25 0.00 4.77 -0.57 -3.82 117.00 117.66 1rem n LEU 84 Ca -0.01 -1.78 0.03 0.00 -0.03 0.00 0.00 56.01 54.22 1rem n LEU 84 Cb 0.16 -0.46 0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1rem n LEU 84 CO 0.22 0.73 0.56 0.18 -1.33 0.00 0.00 177.39 177.75 1rem n LEU 85 N 1.04 2.44 -4.91 2.23 4.77 -0.17 -3.71 117.00 118.68 1rem n LEU 85 Ca 0.20 -2.22 -0.28 0.00 -0.03 0.00 0.00 56.01 53.68 1rem n LEU 85 Cb 0.62 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1rem n LEU 85 CO 0.16 0.60 0.22 0.00 -1.33 0.00 0.00 177.39 177.05 1rem s GLN 86 N -1.39 3.61 0.42 3.23 -2.07 -1.25 -4.63 119.66 117.60 1rem s GLN 86 Ca 0.14 -0.01 0.09 0.00 -1.82 0.00 0.00 55.36 53.75 1rem s GLN 86 Cb 0.10 -2.63 0.92 0.00 -1.09 0.00 0.00 33.01 30.31 1rem s GLN 86 CO 0.05 0.18 2.07 -0.44 -1.32 0.00 0.00 175.29 175.83 1rem h ASP 87 N 1.49 0.41 -3.41 12.60 5.19 -1.94 -3.39 116.42 127.37 1rem h ASP 87 Ca -0.48 -0.01 -0.59 0.00 -0.62 0.00 0.00 57.03 55.34 1rem h ASP 87 Cb 1.19 -0.10 -0.08 0.00 0.18 0.00 0.00 39.33 40.52 1rem h ASP 87 CO 0.65 0.29 0.66 0.21 -3.12 0.00 0.00 179.24 177.94 1rem s ASN 88 N -6.71 6.78 0.00 6.45 3.84 -1.26 -4.93 114.94 119.11 1rem s ASN 88 Ca -0.08 0.79 0.20 0.00 0.21 0.00 0.00 52.86 53.98 1rem s ASN 88 Cb 0.17 -2.49 0.78 0.00 -0.55 0.00 0.00 41.25 39.17 1rem s ASN 88 CO 0.72 -0.82 1.55 2.30 -2.79 0.00 0.00 177.10 178.07 1rem n ILE 89 N 5.85 0.18 -0.26 -5.21 -5.35 -1.26 -4.36 119.36 108.95 1rem n ILE 89 Ca 0.08 -0.29 0.06 0.00 -0.27 0.00 0.00 62.75 62.34 1rem n ILE 89 Cb 0.48 0.24 0.20 0.00 -1.74 0.00 0.00 39.64 38.82 1rem n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rem h ALA 90 N 3.93 1.03 -0.40 -1.28 0.00 -1.95 -0.05 119.26 120.53 1rem h ALA 90 Ca 0.00 0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1rem h ALA 90 Cb 0.39 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1rem h ALA 90 CO 0.00 -0.32 -0.36 -0.44 0.00 0.00 0.00 179.25 178.13 1rem h ASP 91 N 0.31 1.01 -0.71 0.00 3.32 -1.87 -2.52 116.42 115.97 1rem h ASP 91 Ca 0.43 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1rem h ASP 91 Cb 0.74 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1rem h ASP 91 CO -0.50 1.26 0.41 0.00 -1.72 0.00 0.00 179.24 178.69 1rem h ALA 92 N 0.79 0.90 -0.49 3.45 0.00 -1.40 -1.57 119.26 120.94 1rem h ALA 92 Ca 0.07 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1rem h ALA 92 Cb 0.96 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1rem h ALA 92 CO 0.09 0.38 0.05 0.28 0.00 0.00 0.00 179.25 180.06 1rem h VAL 93 N 0.96 1.25 -0.66 0.00 2.07 -1.06 0.16 116.25 118.99 1rem h VAL 93 Ca 0.25 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1rem h VAL 93 Cb -0.01 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1rem h VAL 93 CO -0.05 0.35 0.37 0.00 0.02 0.00 0.00 177.57 178.26 1rem h ALA 94 N 0.95 0.84 -0.51 1.67 0.00 -1.19 0.88 119.26 121.91 1rem h ALA 94 Ca 0.15 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1rem h ALA 94 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1rem h ALA 94 CO 0.02 0.34 0.06 0.00 0.00 0.00 0.00 179.25 179.67 1rem h ALA 96 N 0.96 1.36 -0.59 0.00 0.00 -0.46 0.43 119.26 120.96 1rem h ALA 96 Ca 0.15 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1rem h ALA 96 Cb 0.43 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1rem h ALA 96 CO 0.01 0.44 0.05 0.87 0.00 0.00 0.00 179.25 180.62 1rem h LYS 97 N 0.34 1.02 -0.59 0.00 1.57 -0.47 -2.41 116.57 116.03 1rem h LYS 97 Ca 0.07 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1rem h LYS 97 Cb 0.45 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1rem h LYS 97 CO 0.03 0.98 0.38 -0.09 -0.57 0.00 0.00 179.45 180.18 1rem h ARG 98 N 0.91 0.79 -0.11 3.15 9.65 0.16 -2.87 114.38 126.07 1rem h ARG 98 Ca 0.17 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 59.03 1rem h ARG 98 Cb 0.49 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 1rem h ARG 98 CO 0.02 0.53 -0.05 0.28 2.80 0.00 0.00 179.97 183.55 1rem h VAL 99 N 0.80 0.83 0.00 0.20 2.07 -0.59 -2.15 116.25 117.41 1rem h VAL 99 Ca 0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1rem h VAL 99 Cb -0.07 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1rem h VAL 99 CO -0.05 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.87 1rem n VAL 100 N -5.18 1.05 1.04 2.57 0.24 -0.94 -1.82 118.33 115.29 1rem n VAL 100 Ca -0.04 0.26 0.14 0.00 -2.04 0.00 0.00 64.34 62.66 1rem n VAL 100 Cb 0.11 -1.08 0.59 0.00 -1.47 0.00 0.00 33.84 31.99 1rem n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rem n ARG 101 N -1.41 0.05 -2.14 7.34 1.74 -0.81 -4.46 116.66 116.96 1rem n ARG 101 Ca 0.04 -0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.83 1rem n ARG 101 Cb 0.11 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.09 1rem n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rem s ASP 102 N -2.96 5.37 0.23 0.55 1.11 -0.75 -4.97 116.67 115.25 1rem s ASP 102 Ca 0.15 0.85 -0.08 0.00 0.18 0.00 0.00 52.55 53.66 1rem s ASP 102 Cb 0.19 -1.70 0.37 0.00 1.07 0.00 0.00 42.92 42.86 1rem s ASP 102 CO 0.54 -1.29 1.70 -0.65 1.18 0.00 0.00 175.17 176.65 1rem h PRO 103 N -0.47 0.27 0.00 8.23 0.11 -1.88 -1.56 132.00 136.69 1rem h PRO 103 Ca -0.45 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1rem h PRO 103 Cb 1.27 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1rem h PRO 103 CO 0.62 0.18 -0.13 -0.56 -0.21 0.00 0.00 178.00 177.90 1rem h GLN 104 N 0.27 0.00 0.00 1.05 3.07 -1.93 -3.47 115.11 114.10 1rem h GLN 104 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.10 1rem h GLN 104 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 1rem h GLN 104 CO -0.45 0.13 0.00 0.41 0.09 0.00 0.00 178.83 179.01 1rem n GLY 105 N -0.95 3.11 0.26 0.06 0.00 -0.59 -2.16 105.19 104.91 1rem n GLY 105 Ca -0.02 -0.19 0.17 0.00 0.00 0.00 0.00 46.02 45.98 1rem n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1rem h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.90 -2.83 117.51 118.27 1rem h ILE 106 Ca 0.00 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 1rem h ILE 106 Cb 0.00 1.22 0.00 0.00 0.47 0.00 0.00 36.82 38.51 1rem h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1rem n ARG 107 N -2.87 0.42 0.00 2.19 1.74 -0.92 -2.75 116.66 114.47 1rem n ARG 107 Ca -0.00 0.05 0.08 0.00 -0.77 0.00 0.00 57.85 57.21 1rem n ARG 107 Cb 0.22 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.50 1rem n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rem n ALA 108 N -1.12 1.73 -3.70 7.54 0.00 -1.07 -4.44 120.51 119.47 1rem n ALA 108 Ca 0.11 -0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 1rem n ALA 108 Cb 0.09 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.15 1rem n ALA 108 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1rem s TRP 109 N -2.97 3.38 0.46 0.00 0.51 -1.11 -4.99 118.94 114.22 1rem s TRP 109 Ca 0.08 -2.08 0.11 0.00 -2.12 0.00 0.00 56.10 52.09 1rem s TRP 109 Cb 0.10 -2.46 1.04 0.00 -0.81 0.00 0.00 33.47 31.34 1rem s TRP 109 CO 0.29 -0.86 2.09 0.28 -0.51 0.00 0.00 176.95 178.24 1rem h VAL 110 N 6.44 1.06 -0.20 4.03 2.07 -1.88 -1.67 116.25 126.10 1rem h VAL 110 Ca -0.18 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1rem h VAL 110 Cb 1.06 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1rem h VAL 110 CO 0.58 0.07 -0.03 0.00 0.02 0.00 0.00 177.57 178.21 1rem h ALA 111 N 1.85 1.59 -0.27 1.67 0.00 -1.95 -0.76 119.26 121.38 1rem h ALA 111 Ca 0.07 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1rem h ALA 111 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1rem h ALA 111 CO -0.01 0.30 -0.53 2.35 0.00 0.00 0.00 179.25 181.36 1rem h TRP 112 N 0.29 0.99 -0.26 0.00 7.01 -1.64 -1.68 115.95 120.66 1rem h TRP 112 Ca 0.07 -0.35 -0.12 0.00 2.11 0.00 0.00 58.89 60.60 1rem h TRP 112 Cb 0.24 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 1rem h TRP 112 CO 0.00 1.15 -0.33 0.00 -2.79 0.00 0.00 178.44 176.48 1rem h ARG 113 N 0.62 0.56 0.00 2.65 3.08 -1.30 0.14 114.38 120.13 1rem h ARG 113 Ca 0.02 -0.25 -0.23 0.00 0.07 0.00 0.00 59.98 59.59 1rem h ARG 113 Cb 1.11 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 1rem h ARG 113 CO 0.11 0.81 -1.33 -0.91 -1.07 0.00 0.00 179.97 177.59 1rem h ASN 114 N 0.48 0.00 0.00 7.04 4.21 -1.18 -3.39 115.58 122.74 1rem h ASN 114 Ca 0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.57 1rem h ASN 114 Cb 0.80 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.00 1rem h ASN 114 CO 0.07 0.90 -1.11 0.54 -1.29 0.00 0.00 177.43 176.54 1rem n ARG 115 N -3.14 0.40 -0.02 0.81 5.12 -0.63 -4.91 116.66 114.29 1rem n ARG 115 Ca -0.09 -0.03 -0.03 0.00 -1.93 0.00 0.00 57.85 55.77 1rem n ARG 115 Cb 0.96 -1.06 -0.02 0.00 -1.16 0.00 0.00 32.46 31.18 1rem n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rem s GLN 117 N -2.08 4.21 -1.41 0.00 0.74 0.27 -2.29 119.66 119.11 1rem s GLN 117 Ca -0.06 2.39 -0.06 0.00 0.05 0.00 0.00 55.36 57.69 1rem s GLN 117 Cb 0.02 -3.10 0.01 0.00 1.10 0.00 0.00 33.01 31.03 1rem s GLN 117 CO 0.09 -0.54 0.74 0.09 -0.55 0.00 0.00 175.29 175.13 1rem n ASN 118 N 2.84 -5.96 -4.01 6.67 5.03 -1.26 -4.90 115.26 113.68 1rem n ASN 118 Ca 0.10 -0.34 -0.08 0.00 0.87 0.00 0.00 54.58 55.12 1rem n ASN 118 Cb 0.39 -4.72 -0.09 0.00 -1.02 0.00 0.00 39.78 34.33 1rem n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1rem s ARG 119 N -5.82 0.65 0.08 3.52 0.52 -0.97 -5.13 118.95 111.81 1rem s ARG 119 Ca 0.37 -1.06 -0.31 0.00 -0.52 0.00 0.00 55.73 54.21 1rem s ARG 119 Cb -0.16 0.24 -0.06 0.00 0.52 0.00 0.00 34.95 35.49 1rem s ARG 119 CO 0.46 -0.15 1.21 0.34 0.02 0.00 0.00 175.30 177.18 1rem s ASP 120 N -2.73 7.07 0.00 0.23 2.15 -1.26 -4.89 116.67 117.24 1rem s ASP 120 Ca 0.04 2.07 0.00 0.00 0.43 0.00 0.00 52.55 55.08 1rem s ASP 120 Cb 0.05 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1rem s ASP 120 CO -0.09 -0.46 0.65 1.33 -0.17 0.00 0.00 175.17 176.43 1rem n VAL 121 N 3.70 0.40 -0.28 1.11 0.24 -1.26 -4.75 118.33 117.49 1rem n VAL 121 Ca 0.08 -0.61 -0.03 0.00 -2.04 0.00 0.00 64.34 61.74 1rem n VAL 121 Cb 0.46 0.89 0.09 0.00 -1.47 0.00 0.00 33.84 33.81 1rem n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1rem h ARG 122 N 0.00 0.94 -0.99 7.34 3.08 -1.91 -2.61 114.38 120.22 1rem h ARG 122 Ca 0.00 -0.06 0.29 0.00 0.07 0.00 0.00 59.98 60.28 1rem h ARG 122 Cb 0.33 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1rem h ARG 122 CO 0.00 0.62 0.76 -0.56 -1.07 0.00 0.00 179.97 179.72 1rem h GLN 123 N 0.97 0.00 -0.05 0.04 3.07 -1.97 -1.35 115.11 115.81 1rem h GLN 123 Ca 0.31 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.94 1rem h GLN 123 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1rem h GLN 123 CO -0.11 0.00 -0.48 1.88 0.09 0.00 0.00 178.83 180.21 1rem h TYR 124 N 0.00 0.16 -0.16 0.06 0.05 -1.81 -3.25 116.97 112.02 1rem h TYR 124 Ca 0.47 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 59.20 1rem h TYR 124 Cb 1.98 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.69 1rem h TYR 124 CO 0.00 0.59 0.00 1.33 -1.05 0.00 0.00 178.16 179.03 1rem n VAL 125 N -3.97 0.60 -1.75 -2.88 0.24 -0.58 -4.86 118.33 105.12 1rem n VAL 125 Ca -0.02 -0.80 -0.42 0.00 -2.04 0.00 0.00 64.34 61.07 1rem n VAL 125 Cb 0.51 0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 33.63 1rem n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1rem s GLN 126 N -0.88 4.12 0.00 7.34 -0.21 -0.79 -2.55 119.66 126.69 1rem s GLN 126 Ca 0.15 2.59 0.00 0.00 0.02 0.00 0.00 55.36 58.12 1rem s GLN 126 Cb 0.08 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 31.04 1rem s GLN 126 CO 0.11 -0.70 0.00 0.41 -2.12 0.00 0.00 175.29 172.99 1rem n GLY 127 N 3.22 0.37 0.02 3.09 0.00 -1.26 -4.90 105.19 105.73 1rem n GLY 127 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1rem n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rem n GLY 129 N 1.44 0.96 0.77 0.00 0.00 -1.26 -4.92 105.19 102.19 1rem n GLY 129 Ca 0.04 -0.48 0.10 0.00 0.00 0.00 0.00 46.02 45.68 1rem n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65