#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gaz s ILE 2 N 0.00 2.92 0.71 3.15 -1.16 -1.26 -1.19 121.20 124.37 1gaz s ILE 2 Ca 0.00 -1.61 -0.15 0.00 -0.51 0.00 0.00 60.65 58.39 1gaz s ILE 2 Cb 0.00 -2.78 0.03 0.00 0.61 0.00 0.00 42.46 40.32 1gaz s ILE 2 CO 0.00 -0.25 1.17 -0.36 -2.81 0.00 0.00 174.94 172.70 1gaz s PHE 3 N 1.19 2.23 0.23 3.50 0.08 -0.46 -5.00 117.98 119.75 1gaz s PHE 3 Ca -0.02 1.59 -0.06 0.00 0.12 0.00 0.00 56.93 58.56 1gaz s PHE 3 Cb -0.20 -3.37 -0.06 0.00 -0.57 0.00 0.00 43.02 38.82 1gaz s PHE 3 CO -0.03 -2.30 0.50 -1.21 -0.10 0.00 0.00 175.22 172.09 1gaz s GLU 4 N -3.98 3.69 0.00 0.44 2.02 -1.26 -4.86 118.70 114.74 1gaz s GLU 4 Ca 0.72 0.07 -0.01 0.00 0.02 0.00 0.00 54.97 55.77 1gaz s GLU 4 Cb -0.26 -2.70 -0.00 0.00 0.10 0.00 0.00 34.13 31.26 1gaz s GLU 4 CO 0.44 0.32 1.01 -0.09 0.02 0.00 0.00 175.26 176.96 1gaz h ARG 5 N 2.29 -0.00 -0.26 1.61 2.43 -1.96 -1.72 114.38 116.78 1gaz h ARG 5 Ca -0.47 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 1gaz h ARG 5 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1gaz h ARG 5 CO 0.69 -0.00 0.09 0.00 -1.51 0.00 0.00 179.97 179.23 1gaz h GLU 7 N 0.36 0.72 -0.31 0.00 4.11 -1.89 -1.93 114.58 115.63 1gaz h GLU 7 Ca 0.09 -0.23 -0.10 0.00 0.07 0.00 0.00 59.36 59.19 1gaz h GLU 7 Cb 0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1gaz h GLU 7 CO -0.01 0.81 -0.21 1.25 0.07 0.00 0.00 179.01 180.92 1gaz h LEU 8 N 0.65 0.73 -0.60 3.06 5.85 -0.49 -1.21 115.31 123.30 1gaz h LEU 8 Ca 0.11 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.47 1gaz h LEU 8 Cb 0.56 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 1gaz h LEU 8 CO 0.04 1.00 0.30 0.00 -0.34 0.00 0.00 178.44 179.43 1gaz h ALA 9 N 0.75 0.79 -0.24 1.25 0.00 -0.82 0.16 119.26 121.15 1gaz h ALA 9 Ca 0.06 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1gaz h ALA 9 Cb 0.76 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1gaz h ALA 9 CO 0.06 -0.06 -0.44 0.00 0.00 0.00 0.00 179.25 178.80 1gaz h ARG 10 N 0.55 0.60 -0.67 0.00 3.08 -1.30 -0.57 114.38 116.07 1gaz h ARG 10 Ca 0.28 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1gaz h ARG 10 Cb 0.23 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1gaz h ARG 10 CO -0.21 0.92 0.36 1.15 -1.07 0.00 0.00 179.97 181.12 1gaz h THR 11 N 0.49 1.21 -0.47 2.04 2.02 -0.29 0.67 112.91 118.58 1gaz h THR 11 Ca 0.03 -0.55 -0.14 0.00 0.77 0.00 0.00 66.41 66.53 1gaz h THR 11 Cb 0.96 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1gaz h THR 11 CO 0.09 0.24 -0.24 -0.07 0.37 0.00 0.00 175.52 175.90 1gaz h LEU 12 N 0.91 1.03 -0.41 2.58 3.38 -0.51 -2.67 115.31 119.63 1gaz h LEU 12 Ca 0.23 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1gaz h LEU 12 Cb 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1gaz h LEU 12 CO -0.04 1.21 0.21 0.50 0.09 0.00 0.00 178.44 180.41 1gaz h LYS 13 N 0.85 0.58 0.00 1.13 3.64 -0.54 -1.97 116.57 120.26 1gaz h LYS 13 Ca 0.10 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1gaz h LYS 13 Cb 0.83 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1gaz h LYS 13 CO 0.07 0.48 -0.04 0.00 -2.27 0.00 0.00 179.45 177.69 1gaz h ARG 14 N 0.53 0.00 -0.06 1.90 3.08 -0.80 -1.54 114.38 117.48 1gaz h ARG 14 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1gaz h ARG 14 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1gaz h ARG 14 CO -0.02 0.04 0.00 1.28 -1.07 0.00 0.00 179.97 180.20 1gaz n LEU 15 N -4.30 0.78 0.00 3.04 4.77 -0.79 -4.91 117.00 115.59 1gaz n LEU 15 Ca -0.03 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1gaz n LEU 15 Cb 0.13 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1gaz n LEU 15 CO 0.33 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1gaz n GLY 16 N 0.98 0.56 0.14 -0.72 0.00 -0.58 -4.98 105.19 100.58 1gaz n GLY 16 Ca 0.16 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.51 1gaz n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gaz h MET 17 N 0.00 0.00 -6.16 1.61 2.86 -1.60 -3.40 114.93 108.24 1gaz h MET 17 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 1gaz h MET 17 Cb 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1gaz h MET 17 CO 0.00 0.00 1.29 0.34 1.06 0.00 0.00 176.91 179.60 1gaz s ASP 18 N -5.21 5.64 0.00 1.22 2.15 -1.26 -2.35 116.67 116.86 1gaz s ASP 18 Ca 0.06 0.75 0.00 0.00 0.43 0.00 0.00 52.55 53.79 1gaz s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1gaz s ASP 18 CO 0.69 -2.00 0.00 0.61 -0.17 0.00 0.00 175.17 174.30 1gaz n GLY 19 N 5.51 0.62 3.67 2.66 0.00 0.99 -4.92 105.19 113.71 1gaz n GLY 19 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1gaz n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gaz s TYR 20 N -2.04 1.42 -1.57 1.61 5.04 -0.99 -0.70 117.35 120.12 1gaz s TYR 20 Ca 0.00 -0.40 -0.14 0.00 -2.44 0.00 0.00 57.07 54.09 1gaz s TYR 20 Cb 0.00 -4.25 0.10 0.00 0.35 0.00 0.00 41.96 38.16 1gaz s TYR 20 CO 0.00 -5.51 0.87 0.54 -1.34 0.00 0.00 175.55 170.11 1gaz n ARG 21 N 7.19 -4.60 -1.00 4.97 5.12 -1.26 -1.35 116.66 125.73 1gaz n ARG 21 Ca 0.20 0.51 -0.00 0.00 -1.93 0.00 0.00 57.85 56.63 1gaz n ARG 21 Cb 0.40 -5.29 -0.00 0.00 -1.16 0.00 0.00 32.46 26.42 1gaz n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gaz n GLY 22 N -1.61 0.33 3.58 -0.13 0.00 0.12 -5.00 105.19 102.47 1gaz n GLY 22 Ca 0.01 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1gaz n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gaz s ILE 23 N -1.64 5.19 0.86 -0.61 1.01 -0.45 -4.90 121.20 120.66 1gaz s ILE 23 Ca 0.00 0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.86 1gaz s ILE 23 Cb 0.00 -3.72 0.11 0.00 0.01 0.00 0.00 42.46 38.85 1gaz s ILE 23 CO 0.00 0.07 1.10 -0.94 0.00 0.00 0.00 174.94 175.17 1gaz s SER 24 N 1.70 3.70 0.23 3.58 1.04 -1.26 -0.01 113.70 122.68 1gaz s SER 24 Ca 0.13 1.81 -0.05 0.00 0.48 0.00 0.00 55.95 58.32 1gaz s SER 24 Cb -0.16 -2.44 0.24 0.00 0.10 0.00 0.00 66.02 63.77 1gaz s SER 24 CO 0.11 -2.55 1.75 0.25 0.98 0.00 0.00 173.24 173.78 1gaz h LEU 25 N -1.48 0.91 -1.44 2.42 5.85 -1.92 -2.38 115.31 117.27 1gaz h LEU 25 Ca -0.46 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.07 1gaz h LEU 25 Cb 1.26 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1gaz h LEU 25 CO 0.50 0.92 0.39 0.00 -0.34 0.00 0.00 178.44 179.90 1gaz h ALA 26 N 1.19 1.62 -0.41 1.25 0.00 -1.92 -0.27 119.26 120.72 1gaz h ALA 26 Ca 0.19 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1gaz h ALA 26 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1gaz h ALA 26 CO 0.01 0.34 -0.17 -0.91 0.00 0.00 0.00 179.25 178.52 1gaz h ASN 27 N 0.76 0.85 -0.41 0.00 2.35 -1.77 -1.10 115.58 116.27 1gaz h ASN 27 Ca 0.22 -0.39 -0.08 0.00 -0.55 0.00 0.00 56.30 55.49 1gaz h ASN 27 Cb -0.04 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1gaz h ASN 27 CO -0.05 1.06 -0.04 -0.50 -1.65 0.00 0.00 177.43 176.24 1gaz h TRP 28 N 0.65 0.89 -0.41 1.19 4.06 -1.05 -1.27 115.95 120.02 1gaz h TRP 28 Ca 0.09 -0.14 -0.06 0.00 2.06 0.00 0.00 58.89 60.84 1gaz h TRP 28 Cb 0.72 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.63 1gaz h TRP 28 CO 0.05 0.84 0.03 0.52 -3.56 0.00 0.00 178.44 176.33 1gaz h MET 29 N 0.76 0.70 -0.67 0.49 2.86 -0.97 -1.17 114.93 116.92 1gaz h MET 29 Ca 0.14 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1gaz h MET 29 Cb 0.52 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1gaz h MET 29 CO 0.03 0.77 0.32 0.00 1.06 0.00 0.00 176.91 179.09 1gaz h LEU 31 N 0.95 -0.25 -1.21 0.00 5.85 -1.03 -1.77 115.31 117.87 1gaz h LEU 31 Ca 0.23 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1gaz h LEU 31 Cb 0.10 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1gaz h LEU 31 CO -0.03 0.02 0.16 0.00 -0.34 0.00 0.00 178.44 178.25 1gaz h ALA 32 N 0.20 1.37 0.13 1.25 0.00 -1.05 0.11 119.26 121.28 1gaz h ALA 32 Ca -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1gaz h ALA 32 Cb 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gaz h ALA 32 CO 0.05 0.46 -0.06 -0.22 0.00 0.00 0.00 179.25 179.48 1gaz h LYS 33 N 0.70 -0.17 0.00 0.00 1.63 -0.98 -2.00 116.57 115.75 1gaz h LYS 33 Ca 0.16 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.90 1gaz h LYS 33 Cb 0.20 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1gaz h LYS 33 CO -0.01 0.02 -0.38 -1.49 -3.45 0.00 0.00 179.45 174.14 1gaz h TRP 34 N -0.33 0.00 0.15 1.91 4.06 -1.12 0.48 115.95 121.09 1gaz h TRP 34 Ca -0.02 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.68 1gaz h TRP 34 Cb 0.27 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.46 1gaz h TRP 34 CO -0.02 0.38 -1.09 0.93 -3.56 0.00 0.00 178.44 175.07 1gaz h GLU 35 N 0.00 0.48 0.00 0.49 4.39 -0.76 -3.43 114.58 115.75 1gaz h GLU 35 Ca -0.00 -0.71 0.00 0.00 0.34 0.00 0.00 59.36 58.98 1gaz h GLU 35 Cb 1.16 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1gaz h GLU 35 CO 0.05 1.32 0.00 -1.13 -1.16 0.00 0.00 179.01 178.09 1gaz n SER 36 N -3.93 0.02 -1.30 1.42 3.41 -0.79 -4.81 113.62 107.62 1gaz n SER 36 Ca -0.14 -0.79 -0.11 0.00 -0.26 0.00 0.00 58.87 57.56 1gaz n SER 36 Cb 0.93 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.88 1gaz n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gaz n GLY 37 N 0.00 -0.09 2.43 5.00 0.00 0.16 -2.55 105.19 110.13 1gaz n GLY 37 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 1gaz n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gaz n TYR 38 N -4.00 -1.00 -3.70 1.61 0.53 -1.06 -4.78 117.16 104.76 1gaz n TYR 38 Ca -0.14 0.20 -0.39 0.00 -1.02 0.00 0.00 57.90 56.56 1gaz n TYR 38 Cb 0.60 -3.09 -0.12 0.00 -1.03 0.00 0.00 39.34 35.70 1gaz n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gaz s ASN 39 N -2.65 5.42 0.54 7.72 2.47 -1.06 -1.36 114.94 126.03 1gaz s ASN 39 Ca 0.11 -1.02 0.31 0.00 0.42 0.00 0.00 52.86 52.68 1gaz s ASN 39 Cb -0.05 -1.92 1.52 0.00 -1.45 0.00 0.00 41.25 39.35 1gaz s ASN 39 CO 0.14 -0.32 2.07 0.71 -3.72 0.00 0.00 177.10 175.98 1gaz h THR 40 N 6.03 0.39 -0.07 -5.21 1.35 -1.46 -2.45 112.91 111.49 1gaz h THR 40 Ca -0.25 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1gaz h THR 40 Cb 1.10 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1gaz h THR 40 CO 0.62 0.09 0.00 0.54 -0.25 0.00 0.00 175.52 176.52 1gaz n ARG 41 N -3.44 1.89 -1.75 4.72 1.74 -1.26 -3.97 116.66 114.60 1gaz n ARG 41 Ca -0.01 -1.31 -0.42 0.00 -0.77 0.00 0.00 57.85 55.34 1gaz n ARG 41 Cb 0.25 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 1gaz n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gaz n ALA 42 N 0.57 2.08 -3.11 7.54 0.00 -0.93 -4.79 120.51 121.87 1gaz n ALA 42 Ca 0.17 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.85 1gaz n ALA 42 Cb 0.43 -2.38 -0.10 0.00 0.00 0.00 0.00 19.45 17.39 1gaz n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gaz s THR 43 N -0.86 0.06 -0.13 0.00 -4.23 -1.26 -1.37 115.64 107.85 1gaz s THR 43 Ca 0.56 -0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 60.55 1gaz s THR 43 Cb -0.51 -0.41 0.07 0.00 1.34 0.00 0.00 72.50 72.99 1gaz s THR 43 CO 0.60 -0.27 0.21 0.21 -0.54 0.00 0.00 174.62 174.84 1gaz s ASN 44 N -0.98 0.78 -0.00 3.99 2.47 -0.85 -4.97 114.94 115.37 1gaz s ASN 44 Ca -0.11 0.28 -0.21 0.00 0.42 0.00 0.00 52.86 53.24 1gaz s ASN 44 Cb -0.06 0.46 -0.05 0.00 -1.45 0.00 0.00 41.25 40.15 1gaz s ASN 44 CO 0.01 -0.27 0.63 -0.47 -3.72 0.00 0.00 177.10 173.29 1gaz s TYR 45 N 2.35 3.68 -0.68 0.43 6.14 -1.26 -0.65 117.35 127.36 1gaz s TYR 45 Ca 0.03 1.24 -0.09 0.00 0.64 0.00 0.00 57.07 58.90 1gaz s TYR 45 Cb -0.13 -2.66 0.18 0.00 0.42 0.00 0.00 41.96 39.77 1gaz s TYR 45 CO -0.08 0.31 0.56 -0.80 0.64 0.00 0.00 175.55 176.18 1gaz s ASN 46 N -0.07 5.95 0.58 4.32 0.01 0.33 -4.93 114.94 121.12 1gaz s ASN 46 Ca 0.33 -2.61 0.28 0.00 -0.71 0.00 0.00 52.86 50.15 1gaz s ASN 46 Cb -0.18 -2.03 1.72 0.00 0.41 0.00 0.00 41.25 41.17 1gaz s ASN 46 CO 0.18 -0.52 2.22 0.00 -1.51 0.00 0.00 177.10 177.47 1gaz h ALA 47 N 7.61 1.64 -0.77 0.60 0.00 -1.96 0.10 119.26 126.49 1gaz h ALA 47 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1gaz h ALA 47 Cb 1.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1gaz h ALA 47 CO 0.76 -0.06 0.35 0.78 0.00 0.00 0.00 179.25 181.09 1gaz h GLY 48 N 0.00 1.21 -0.03 0.00 0.00 -1.95 -3.29 103.07 99.01 1gaz h GLY 48 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1gaz h GLY 48 CO -0.00 0.59 -0.02 2.09 0.00 0.00 0.00 176.54 179.20 1gaz n ASP 49 N -4.35 1.65 -2.09 0.19 5.75 -0.98 -5.02 116.55 111.70 1gaz n ASP 49 Ca 0.07 -1.99 -0.19 0.00 -0.01 0.00 0.00 54.79 52.67 1gaz n ASP 49 Cb 0.15 -0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.16 1gaz n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gaz n ARG 50 N -0.53 -1.50 -3.88 0.11 1.74 0.32 -4.83 116.66 108.09 1gaz n ARG 50 Ca 0.02 0.95 -0.23 0.00 -0.77 0.00 0.00 57.85 57.83 1gaz n ARG 50 Cb 0.36 -5.48 -0.05 0.00 -1.02 0.00 0.00 32.46 26.27 1gaz n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gaz s SER 51 N -2.21 4.76 0.01 0.55 1.04 -1.16 -4.49 113.70 112.19 1gaz s SER 51 Ca 0.00 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 55.57 1gaz s SER 51 Cb 0.00 -0.57 -0.01 0.00 0.10 0.00 0.00 66.02 65.54 1gaz s SER 51 CO 0.00 -0.55 -0.06 -0.89 0.98 0.00 0.00 173.24 172.72 1gaz s THR 52 N -2.51 0.44 -0.18 2.02 2.01 -1.26 -0.51 115.64 115.64 1gaz s THR 52 Ca 0.44 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.90 1gaz s THR 52 Cb -0.00 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 1gaz s THR 52 CO 0.25 -0.01 0.18 -1.81 -0.69 0.00 0.00 174.62 172.54 1gaz s ASP 53 N -0.47 6.29 0.00 3.53 1.01 0.18 -1.05 116.67 126.15 1gaz s ASP 53 Ca -0.01 0.33 0.08 0.00 0.71 0.00 0.00 52.55 53.65 1gaz s ASP 53 Cb -0.04 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 1gaz s ASP 53 CO -0.00 0.17 -0.24 -0.31 0.21 0.00 0.00 175.17 175.00 1gaz s TYR 54 N 0.33 2.41 0.00 4.23 2.02 0.58 -2.01 117.35 124.91 1gaz s TYR 54 Ca 0.11 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 1gaz s TYR 54 Cb -0.12 -1.48 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1gaz s TYR 54 CO 0.00 0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.46 1gaz n GLY 55 N 2.14 -1.04 0.28 0.71 0.00 -0.47 -1.38 105.19 105.42 1gaz n GLY 55 Ca -0.16 -1.18 0.11 0.00 0.00 0.00 0.00 46.02 44.79 1gaz n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gaz h ILE 56 N 0.00 0.80 -0.13 -0.61 2.10 -1.66 -1.75 117.51 116.26 1gaz h ILE 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1gaz h ILE 56 Cb 0.00 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 36.72 1gaz h ILE 56 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 1gaz n PHE 57 N -4.25 0.16 -3.73 2.19 0.99 -1.26 -4.00 117.46 107.55 1gaz n PHE 57 Ca -0.03 -0.12 -0.26 0.00 -0.00 0.00 0.00 57.45 57.04 1gaz n PHE 57 Cb 0.10 -0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.61 1gaz n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gaz n GLN 58 N 0.90 -2.83 -2.62 -1.08 1.13 -0.66 -4.90 117.38 107.32 1gaz n GLN 58 Ca 0.11 0.51 -0.42 0.00 -1.94 0.00 0.00 57.00 55.27 1gaz n GLN 58 Cb 0.42 -4.62 -0.04 0.00 0.11 0.00 0.00 30.24 26.12 1gaz n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gaz s ILE 59 N -3.65 4.41 0.20 5.09 1.01 -0.48 -4.41 121.20 123.37 1gaz s ILE 59 Ca 0.22 1.86 -0.30 0.00 0.00 0.00 0.00 60.65 62.43 1gaz s ILE 59 Cb -0.07 -4.19 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 1gaz s ILE 59 CO 0.85 0.22 0.95 0.21 0.00 0.00 0.00 174.94 177.17 1gaz s ASN 60 N 0.52 7.59 0.52 3.58 3.84 -1.26 -0.30 114.94 129.42 1gaz s ASN 60 Ca 0.51 1.91 0.31 0.00 0.21 0.00 0.00 52.86 55.80 1gaz s ASN 60 Cb -0.25 -2.60 1.24 0.00 -0.55 0.00 0.00 41.25 39.09 1gaz s ASN 60 CO 0.30 0.07 1.94 0.77 -2.79 0.00 0.00 177.10 177.40 1gaz h SER 61 N 4.63 0.00 -0.39 -4.21 4.64 -1.33 -2.39 113.55 114.49 1gaz h SER 61 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1gaz h SER 61 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1gaz h SER 61 CO 0.69 0.06 0.20 -0.09 -0.87 0.00 0.00 176.83 176.83 1gaz h ARG 62 N 0.00 0.59 0.00 4.77 2.43 -1.84 -3.38 114.38 116.95 1gaz h ARG 62 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1gaz h ARG 62 Cb 0.57 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1gaz h ARG 62 CO 0.01 0.46 -0.80 0.66 -1.51 0.00 0.00 179.97 178.79 1gaz n TYR 63 N -4.40 0.00 -0.10 2.20 4.01 -1.22 -0.44 117.16 117.21 1gaz n TYR 63 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.64 1gaz n TYR 63 Cb 0.12 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.01 1gaz n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1gaz n TRP 64 N -1.70 0.12 -4.09 -0.72 7.02 -0.90 -0.36 117.44 116.80 1gaz n TRP 64 Ca 0.00 0.03 -0.09 0.00 -1.02 0.00 0.00 57.50 56.43 1gaz n TRP 64 Cb 0.40 -1.02 -0.10 0.00 -2.42 0.00 0.00 31.31 28.17 1gaz n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gaz s ASN 66 N -2.62 6.13 0.00 0.00 2.47 -0.28 -4.56 114.94 116.08 1gaz s ASN 66 Ca 0.03 0.13 0.03 0.00 0.42 0.00 0.00 52.86 53.47 1gaz s ASN 66 Cb 0.03 -2.11 0.03 0.00 -1.45 0.00 0.00 41.25 37.75 1gaz s ASN 66 CO -0.06 0.07 0.66 -0.90 -3.72 0.00 0.00 177.10 173.15 1gaz n ASP 67 N 4.22 1.39 0.00 -4.21 5.75 -1.26 -1.05 116.55 121.39 1gaz n ASP 67 Ca -0.15 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 1gaz n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1gaz n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gaz n GLY 68 N 0.09 1.15 0.10 6.12 0.00 -1.26 -4.79 105.19 106.59 1gaz n GLY 68 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1gaz n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gaz n LYS 69 N -2.00 1.32 -3.90 1.61 2.85 -1.26 -4.98 118.16 111.80 1gaz n LYS 69 Ca 0.00 -2.34 -0.35 0.00 -1.05 0.00 0.00 58.31 54.57 1gaz n LYS 69 Cb 0.00 -1.37 -0.14 0.00 -0.65 0.00 0.00 35.03 32.87 1gaz n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gaz s THR 70 N -2.46 3.30 0.20 0.58 2.01 -1.26 -4.91 115.64 113.09 1gaz s THR 70 Ca 0.26 -0.67 -0.33 0.00 0.31 0.00 0.00 61.69 61.27 1gaz s THR 70 Cb 0.23 -2.57 -0.13 0.00 0.01 0.00 0.00 72.50 70.04 1gaz s THR 70 CO 0.02 0.32 1.58 -2.65 -0.69 0.00 0.00 174.62 173.20 1gaz n PRO 71 N 4.77 2.31 -1.85 4.92 -0.02 -1.26 -2.41 135.00 141.46 1gaz n PRO 71 Ca -0.17 0.83 -0.14 0.00 -2.02 0.00 0.00 63.50 62.00 1gaz n PRO 71 Cb 0.49 -2.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 1gaz n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gaz n GLY 72 N 3.20 0.50 3.82 -1.23 0.00 -1.26 -4.93 105.19 105.29 1gaz n GLY 72 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1gaz n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gaz s ALA 73 N -2.38 2.83 0.52 4.61 0.00 -1.01 -5.03 121.76 121.30 1gaz s ALA 73 Ca 0.00 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1gaz s ALA 73 Cb 0.00 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 1gaz s ALA 73 CO 0.00 -0.75 0.10 0.14 0.00 0.00 0.00 175.76 175.25 1gaz s VAL 74 N -2.67 1.31 -0.41 0.00 -7.23 0.41 -5.00 120.40 106.82 1gaz s VAL 74 Ca 0.61 -1.87 0.07 0.00 -1.81 0.00 0.00 61.98 58.98 1gaz s VAL 74 Cb -0.14 -2.18 0.24 0.00 0.56 0.00 0.00 36.38 34.86 1gaz s VAL 74 CO 0.40 0.00 0.51 -3.20 -0.31 0.00 0.00 175.10 172.50 1gaz n ASN 75 N -1.38 0.28 0.26 4.85 5.15 -1.22 -3.98 115.26 119.22 1gaz n ASN 75 Ca -0.15 -2.69 0.08 0.00 -0.60 0.00 0.00 54.58 51.23 1gaz n ASN 75 Cb 0.66 -0.63 0.65 0.00 -0.53 0.00 0.00 39.78 39.93 1gaz n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gaz h ALA 76 N 4.25 1.92 -0.00 5.20 0.00 -0.72 -1.29 119.26 128.62 1gaz h ALA 76 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gaz h ALA 76 Cb 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1gaz h ALA 76 CO 0.47 0.03 -0.24 0.00 0.00 0.00 0.00 179.25 179.50 1gaz n HIS 78 N -0.95 -1.87 -3.93 0.00 -0.00 -0.49 -4.94 115.22 103.04 1gaz n HIS 78 Ca 0.11 0.57 -0.10 0.00 -0.00 0.00 0.00 57.72 58.30 1gaz n HIS 78 Cb 0.32 -3.64 -0.10 0.00 -0.00 0.00 0.00 29.99 26.58 1gaz n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gaz s LEU 79 N -6.57 1.90 0.34 2.41 1.43 -1.26 -5.07 118.68 111.86 1gaz s LEU 79 Ca 0.32 -0.42 -0.27 0.00 -1.03 0.00 0.00 54.13 52.73 1gaz s LEU 79 Cb -0.11 0.43 -0.09 0.00 0.03 0.00 0.00 46.19 46.44 1gaz s LEU 79 CO 0.86 -0.39 1.06 -0.55 0.23 0.00 0.00 176.35 177.56 1gaz s SER 80 N -1.65 7.03 0.60 2.29 0.15 -1.26 -1.12 113.70 119.74 1gaz s SER 80 Ca -0.12 2.12 0.34 0.00 0.70 0.00 0.00 55.95 58.99 1gaz s SER 80 Cb -0.06 -2.60 1.93 0.00 -1.71 0.00 0.00 66.02 63.57 1gaz s SER 80 CO -0.01 -0.30 2.25 0.00 1.20 0.00 0.00 173.24 176.38 1gaz h SER 82 N 0.00 0.53 0.12 0.00 0.87 -1.90 0.01 113.55 113.18 1gaz h SER 82 Ca -0.00 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1gaz h SER 82 Cb 0.07 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1gaz h SER 82 CO 0.00 0.32 -0.02 0.00 -0.53 0.00 0.00 176.83 176.60 1gaz h ALA 83 N 1.64 1.28 -0.20 6.23 0.00 -1.54 -0.03 119.26 126.65 1gaz h ALA 83 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1gaz h ALA 83 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1gaz h ALA 83 CO -0.11 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1gaz n LEU 84 N -3.52 1.29 -0.28 0.00 4.77 -0.01 -3.47 117.00 115.79 1gaz n LEU 84 Ca -0.03 -0.61 0.05 0.00 -0.03 0.00 0.00 56.01 55.40 1gaz n LEU 84 Cb 0.12 -0.13 0.11 0.00 -2.33 0.00 0.00 43.42 41.19 1gaz n LEU 84 CO 0.26 0.30 0.58 0.18 -1.33 0.00 0.00 177.39 177.37 1gaz n LEU 85 N 0.15 2.56 -4.87 2.23 4.77 -0.02 -3.10 117.00 118.72 1gaz n LEU 85 Ca 0.11 -2.45 -0.31 0.00 -0.03 0.00 0.00 56.01 53.34 1gaz n LEU 85 Cb 0.23 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1gaz n LEU 85 CO 0.09 0.63 0.52 -1.10 -1.33 0.00 0.00 177.39 176.19 1gaz s GLN 86 N -1.79 3.82 0.23 3.23 -0.21 -1.23 -4.64 119.66 119.08 1gaz s GLN 86 Ca 0.20 0.61 -0.02 0.00 0.02 0.00 0.00 55.36 56.17 1gaz s GLN 86 Cb 0.15 -2.31 0.24 0.00 1.00 0.00 0.00 33.01 32.09 1gaz s GLN 86 CO 0.05 -0.11 1.62 -0.44 -2.12 0.00 0.00 175.29 174.29 1gaz h ASP 87 N 1.12 0.64 -3.00 5.90 5.19 -1.93 -3.40 116.42 120.94 1gaz h ASP 87 Ca -0.47 -0.26 -0.57 0.00 -0.62 0.00 0.00 57.03 55.11 1gaz h ASP 87 Cb 1.19 -0.18 -0.05 0.00 0.18 0.00 0.00 39.33 40.47 1gaz h ASP 87 CO 0.63 0.92 0.86 0.21 -3.12 0.00 0.00 179.24 178.73 1gaz s ASN 88 N -6.82 7.01 0.00 6.45 3.84 -1.26 -4.89 114.94 119.28 1gaz s ASN 88 Ca -0.08 1.53 0.12 0.00 0.21 0.00 0.00 52.86 54.64 1gaz s ASN 88 Cb 0.13 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.64 1gaz s ASN 88 CO 0.82 -0.72 1.29 2.30 -2.79 0.00 0.00 177.10 177.99 1gaz n ILE 89 N 5.36 0.48 -0.09 -5.21 -5.35 -1.26 -4.49 119.36 108.80 1gaz n ILE 89 Ca 0.13 -0.48 -0.06 0.00 -0.27 0.00 0.00 62.75 62.07 1gaz n ILE 89 Cb 0.45 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 1gaz n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gaz h ALA 90 N 3.69 0.16 -0.44 -1.28 0.00 -1.95 0.71 119.26 120.16 1gaz h ALA 90 Ca 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1gaz h ALA 90 Cb 0.49 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1gaz h ALA 90 CO 0.00 -0.50 -0.04 -0.44 0.00 0.00 0.00 179.25 178.27 1gaz h ASP 91 N -0.06 0.71 -0.47 0.00 3.45 -1.87 -0.20 116.42 117.99 1gaz h ASP 91 Ca 0.17 -0.18 -0.08 0.00 0.43 0.00 0.00 57.03 57.36 1gaz h ASP 91 Cb 0.31 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 1gaz h ASP 91 CO -0.38 0.81 -0.01 0.00 -1.57 0.00 0.00 179.24 178.09 1gaz h ALA 92 N 1.27 0.99 -0.47 3.45 0.00 -1.61 -1.07 119.26 121.83 1gaz h ALA 92 Ca 0.13 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1gaz h ALA 92 Cb 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1gaz h ALA 92 CO 0.02 0.62 -0.13 0.28 0.00 0.00 0.00 179.25 180.04 1gaz h VAL 93 N 0.83 1.27 -0.82 0.00 2.07 -0.46 0.83 116.25 119.98 1gaz h VAL 93 Ca 0.15 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1gaz h VAL 93 Cb 0.51 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1gaz h VAL 93 CO 0.03 0.43 0.44 0.00 0.02 0.00 0.00 177.57 178.49 1gaz h ALA 94 N 0.88 1.05 -0.28 1.67 0.00 -0.74 -0.75 119.26 121.08 1gaz h ALA 94 Ca 0.12 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1gaz h ALA 94 Cb 0.68 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1gaz h ALA 94 CO 0.05 0.57 -0.25 0.00 0.00 0.00 0.00 179.25 179.61 1gaz h ALA 96 N 0.71 1.57 -0.46 0.00 0.00 -0.54 0.19 119.26 120.74 1gaz h ALA 96 Ca 0.05 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1gaz h ALA 96 Cb 0.82 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1gaz h ALA 96 CO 0.06 0.39 -0.06 0.87 0.00 0.00 0.00 179.25 180.51 1gaz h LYS 97 N 0.78 0.85 -0.75 0.00 1.57 -1.03 -2.35 116.57 115.64 1gaz h LYS 97 Ca 0.21 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1gaz h LYS 97 Cb -0.08 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 1gaz h LYS 97 CO -0.04 0.93 0.49 -0.09 -0.57 0.00 0.00 179.45 180.16 1gaz h ARG 98 N 0.69 0.94 0.15 3.15 9.65 -0.53 -2.18 114.38 126.24 1gaz h ARG 98 Ca 0.12 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1gaz h ARG 98 Cb 0.59 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1gaz h ARG 98 CO 0.04 0.62 -0.07 0.28 2.80 0.00 0.00 179.97 183.64 1gaz h VAL 99 N 0.97 0.86 0.00 0.20 2.07 -0.83 -2.81 116.25 116.70 1gaz h VAL 99 Ca 0.29 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1gaz h VAL 99 Cb -0.05 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1gaz h VAL 99 CO -0.09 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.83 1gaz n VAL 100 N -5.17 0.97 0.50 2.57 0.24 -0.90 -1.98 118.33 114.55 1gaz n VAL 100 Ca -0.08 0.26 0.12 0.00 -2.04 0.00 0.00 64.34 62.59 1gaz n VAL 100 Cb 0.10 -1.09 0.46 0.00 -1.47 0.00 0.00 33.84 31.85 1gaz n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gaz n ARG 101 N -1.79 0.20 -1.68 7.34 1.74 -0.84 -4.07 116.66 117.57 1gaz n ARG 101 Ca 0.03 0.33 -0.30 0.00 -0.77 0.00 0.00 57.85 57.14 1gaz n ARG 101 Cb 0.19 -1.81 0.09 0.00 -1.02 0.00 0.00 32.46 29.90 1gaz n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gaz s ASP 102 N -4.22 4.54 0.28 0.55 -0.00 -0.84 -4.94 116.67 112.04 1gaz s ASP 102 Ca 0.07 1.13 0.00 0.00 -0.00 0.00 0.00 52.55 53.75 1gaz s ASP 102 Cb 0.11 -1.82 0.65 0.00 -0.00 0.00 0.00 42.92 41.86 1gaz s ASP 102 CO 0.46 -1.92 1.64 1.55 -0.00 0.00 0.00 175.17 176.90 1gaz h PRO 103 N -1.05 0.18 0.00 8.23 0.13 -1.87 -2.09 132.00 135.52 1gaz h PRO 103 Ca -0.47 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1gaz h PRO 103 Cb 1.28 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1gaz h PRO 103 CO 0.62 0.12 -0.17 1.96 -0.23 0.00 0.00 178.00 180.29 1gaz h GLN 104 N 0.18 0.00 0.00 0.86 4.20 -1.90 -3.49 115.11 114.96 1gaz h GLN 104 Ca 0.52 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.23 1gaz h GLN 104 Cb 1.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1gaz h GLN 104 CO -0.67 0.17 0.00 0.41 -0.67 0.00 0.00 178.83 178.08 1gaz n GLY 105 N -0.86 1.51 0.33 3.46 0.00 -0.79 -2.50 105.19 106.35 1gaz n GLY 105 Ca -0.02 -0.66 0.22 0.00 0.00 0.00 0.00 46.02 45.56 1gaz n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gaz h ILE 106 N 0.00 0.03 0.00 -0.61 6.09 -1.92 -2.21 117.51 118.89 1gaz h ILE 106 Ca 0.00 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 1gaz h ILE 106 Cb 0.00 1.03 0.00 0.00 0.47 0.00 0.00 36.82 38.32 1gaz h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1gaz n ARG 107 N -3.12 0.05 -0.22 2.19 1.74 -1.04 -2.88 116.66 113.37 1gaz n ARG 107 Ca -0.03 0.30 0.07 0.00 -0.77 0.00 0.00 57.85 57.42 1gaz n ARG 107 Cb 0.09 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.37 1gaz n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gaz h ALA 108 N 2.32 1.71 -2.29 7.54 0.00 -1.58 -3.38 119.26 123.57 1gaz h ALA 108 Ca 0.00 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 1gaz h ALA 108 Cb 0.11 -0.19 -0.12 0.00 0.00 0.00 0.00 17.79 17.59 1gaz h ALA 108 CO 0.00 0.15 0.24 -1.58 0.00 0.00 0.00 179.25 178.05 1gaz s TRP 109 N -5.70 3.16 0.37 0.00 0.51 -1.14 -4.94 118.94 111.20 1gaz s TRP 109 Ca -0.10 0.52 0.04 0.00 -2.12 0.00 0.00 56.10 54.44 1gaz s TRP 109 Cb 0.20 -3.18 0.71 0.00 -0.81 0.00 0.00 33.47 30.39 1gaz s TRP 109 CO 0.78 -0.61 2.02 0.28 -0.51 0.00 0.00 176.95 178.91 1gaz h VAL 110 N 5.65 1.14 0.00 4.03 2.07 -1.90 -0.60 116.25 126.65 1gaz h VAL 110 Ca -0.26 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1gaz h VAL 110 Cb 1.11 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1gaz h VAL 110 CO 0.85 0.14 -0.03 0.00 0.02 0.00 0.00 177.57 178.56 1gaz h ALA 111 N 1.65 1.81 -0.28 1.67 0.00 -1.94 -0.21 119.26 121.96 1gaz h ALA 111 Ca 0.20 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1gaz h ALA 111 Cb -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1gaz h ALA 111 CO -0.04 0.04 -0.20 2.35 0.00 0.00 0.00 179.25 181.39 1gaz h TRP 112 N 0.00 0.73 -0.80 0.00 7.01 -1.42 -0.25 115.95 121.22 1gaz h TRP 112 Ca -0.00 -0.20 -0.04 0.00 2.11 0.00 0.00 58.89 60.76 1gaz h TRP 112 Cb 0.06 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 26.92 1gaz h TRP 112 CO 0.00 0.90 0.35 0.00 -2.79 0.00 0.00 178.44 176.90 1gaz h ARG 113 N 0.36 1.18 -0.37 2.65 3.08 -1.16 0.77 114.38 120.88 1gaz h ARG 113 Ca 0.05 -0.20 -0.14 0.00 0.07 0.00 0.00 59.98 59.76 1gaz h ARG 113 Cb 0.75 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1gaz h ARG 113 CO 0.05 0.94 -0.33 -0.91 -1.07 0.00 0.00 179.97 178.65 1gaz h ASN 114 N 1.16 0.93 0.00 7.04 2.35 -0.91 -3.36 115.58 122.79 1gaz h ASN 114 Ca 0.27 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1gaz h ASN 114 Cb 0.18 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1gaz h ASN 114 CO -0.03 1.19 0.00 0.54 -1.65 0.00 0.00 177.43 177.48 1gaz n ARG 115 N -4.14 -0.65 0.00 0.81 1.74 -0.12 -4.85 116.66 109.45 1gaz n ARG 115 Ca -0.02 -0.52 0.00 0.00 -0.77 0.00 0.00 57.85 56.54 1gaz n ARG 115 Cb 0.51 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 1gaz n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gaz n GLN 117 N -1.91 2.81 -3.75 0.00 7.27 -0.05 -2.39 117.38 119.35 1gaz n GLN 117 Ca 0.00 1.01 -0.27 0.00 0.07 0.00 0.00 57.00 57.81 1gaz n GLN 117 Cb 0.31 -2.87 0.05 0.00 2.41 0.00 0.00 30.24 30.14 1gaz n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1gaz n ASN 118 N 4.29 -5.61 -4.39 1.69 5.03 -1.26 -4.95 115.26 110.06 1gaz n ASN 118 Ca 0.16 -0.66 -0.20 0.00 0.87 0.00 0.00 54.58 54.76 1gaz n ASN 118 Cb 0.35 -4.48 -0.10 0.00 -1.02 0.00 0.00 39.78 34.53 1gaz n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gaz s ARG 119 N -6.46 1.46 -0.68 3.52 1.81 -1.01 -5.08 118.95 112.51 1gaz s ARG 119 Ca 0.62 -1.70 -0.23 0.00 -1.72 0.00 0.00 55.73 52.71 1gaz s ARG 119 Cb -0.29 -1.17 0.07 0.00 -0.45 0.00 0.00 34.95 33.10 1gaz s ARG 119 CO 0.78 0.12 1.02 0.34 -0.68 0.00 0.00 175.30 176.88 1gaz s ASP 120 N -3.39 6.18 -0.01 0.23 -1.08 -1.26 -4.86 116.67 112.47 1gaz s ASP 120 Ca 0.26 -0.93 0.20 0.00 -0.52 0.00 0.00 52.55 51.57 1gaz s ASP 120 Cb 0.01 -2.44 0.60 0.00 -1.46 0.00 0.00 42.92 39.63 1gaz s ASP 120 CO 0.10 -1.50 1.50 1.33 0.52 0.00 0.00 175.17 177.12 1gaz n VAL 121 N 5.99 0.99 -0.24 1.11 0.24 -1.26 -4.61 118.33 120.55 1gaz n VAL 121 Ca -0.02 -0.92 0.02 0.00 -2.04 0.00 0.00 64.34 61.38 1gaz n VAL 121 Cb 0.46 0.41 0.15 0.00 -1.47 0.00 0.00 33.84 33.38 1gaz n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gaz h ARG 122 N 3.90 0.50 -0.29 7.34 3.08 -1.93 -2.11 114.38 124.87 1gaz h ARG 122 Ca 0.00 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.11 1gaz h ARG 122 Cb 0.95 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1gaz h ARG 122 CO 0.03 0.33 0.48 -0.56 -1.07 0.00 0.00 179.97 179.17 1gaz h GLN 123 N 0.51 0.00 0.00 0.04 3.07 -1.97 -1.97 115.11 114.79 1gaz h GLN 123 Ca 0.36 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 59.02 1gaz h GLN 123 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.00 1gaz h GLN 123 CO -0.32 0.00 -0.40 1.88 0.09 0.00 0.00 178.83 180.08 1gaz h TYR 124 N 0.00 0.00 -0.03 0.06 0.05 -1.73 -3.24 116.97 112.08 1gaz h TYR 124 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1gaz h TYR 124 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 1gaz h TYR 124 CO 0.00 0.40 0.00 1.33 -1.05 0.00 0.00 178.16 178.84 1gaz n VAL 125 N -3.92 0.13 -1.91 -2.88 0.24 -0.76 -4.79 118.33 104.44 1gaz n VAL 125 Ca -0.01 -0.57 -0.42 0.00 -2.04 0.00 0.00 64.34 61.30 1gaz n VAL 125 Cb 0.45 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.84 1gaz n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gaz s GLN 126 N -0.60 4.20 0.00 7.34 -1.52 -1.08 -2.37 119.66 125.63 1gaz s GLN 126 Ca 0.08 2.38 0.00 0.00 -1.95 0.00 0.00 55.36 55.88 1gaz s GLN 126 Cb 0.06 -3.20 0.00 0.00 -0.22 0.00 0.00 33.01 29.64 1gaz s GLN 126 CO 0.08 -0.64 0.00 0.41 -0.25 0.00 0.00 175.29 174.89 1gaz n GLY 127 N 3.81 0.47 0.16 3.09 0.00 -1.26 -4.91 105.19 106.55 1gaz n GLY 127 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1gaz n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gaz n GLY 129 N 1.42 0.31 0.54 0.00 0.00 -1.26 -4.80 105.19 101.41 1gaz n GLY 129 Ca 0.09 -0.69 0.07 0.00 0.00 0.00 0.00 46.02 45.48 1gaz n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65