#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rey s VAL 2 N 0.00 4.49 0.72 3.15 1.01 -1.26 -1.18 120.40 127.33 1rey s VAL 2 Ca 0.00 -1.24 -0.15 0.00 0.00 0.00 0.00 61.98 60.59 1rey s VAL 2 Cb 0.00 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1rey s VAL 2 CO 0.00 -0.48 1.19 -0.36 0.00 0.00 0.00 175.10 175.46 1rey s PHE 3 N 1.49 2.14 0.24 5.22 0.40 -0.38 -4.99 117.98 122.10 1rey s PHE 3 Ca 0.03 1.59 -0.12 0.00 -0.60 0.00 0.00 56.93 57.84 1rey s PHE 3 Cb -0.23 -3.43 -0.08 0.00 0.51 0.00 0.00 43.02 39.80 1rey s PHE 3 CO 0.04 -2.47 0.59 -1.21 0.70 0.00 0.00 175.22 172.87 1rey s GLU 4 N -3.91 3.87 0.13 0.44 0.41 -1.26 -4.89 118.70 113.49 1rey s GLU 4 Ca 0.73 0.40 -0.32 0.00 -0.41 0.00 0.00 54.97 55.37 1rey s GLU 4 Cb -0.28 -2.64 -0.09 0.00 -1.78 0.00 0.00 34.13 29.34 1rey s GLU 4 CO 0.44 0.30 1.56 -0.09 -0.49 0.00 0.00 175.26 176.99 1rey h ARG 5 N 2.61 -0.49 0.00 1.61 2.43 -1.96 -1.36 114.38 117.22 1rey h ARG 5 Ca -0.47 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.65 1rey h ARG 5 Cb 1.17 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1rey h ARG 5 CO 0.68 -0.33 -0.36 0.00 -1.51 0.00 0.00 179.97 178.45 1rey h GLU 7 N 0.00 0.49 -0.42 0.00 4.81 -1.81 -1.70 114.58 115.95 1rey h GLU 7 Ca -0.00 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.02 1rey h GLU 7 Cb 0.77 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1rey h GLU 7 CO 0.05 0.43 -0.28 1.25 -0.73 0.00 0.00 179.01 179.73 1rey h LEU 8 N 0.42 0.94 -0.36 1.64 5.85 -0.93 -1.95 115.31 120.92 1rey h LEU 8 Ca 0.12 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1rey h LEU 8 Cb 0.10 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1rey h LEU 8 CO -0.02 1.15 0.19 0.00 -0.34 0.00 0.00 178.44 179.42 1rey h ALA 9 N 0.91 0.45 -0.66 1.25 0.00 -1.13 0.65 119.26 120.73 1rey h ALA 9 Ca 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1rey h ALA 9 Cb 0.84 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1rey h ALA 9 CO 0.07 -0.18 0.26 0.00 0.00 0.00 0.00 179.25 179.41 1rey h ARG 10 N 0.38 0.99 -0.43 0.00 3.08 -1.26 -1.65 114.38 115.49 1rey h ARG 10 Ca 0.15 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1rey h ARG 10 Cb 0.05 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1rey h ARG 10 CO -0.10 0.83 0.24 1.15 -1.07 0.00 0.00 179.97 181.01 1rey h THR 11 N 0.93 1.16 -0.23 2.04 2.02 -0.73 -1.58 112.91 116.52 1rey h THR 11 Ca 0.22 -0.41 -0.11 0.00 0.77 0.00 0.00 66.41 66.88 1rey h THR 11 Cb 0.21 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1rey h THR 11 CO -0.02 0.17 -0.31 -0.07 0.37 0.00 0.00 175.52 175.66 1rey h LEU 12 N 0.56 0.49 -0.42 2.58 3.38 -0.75 -2.30 115.31 118.85 1rey h LEU 12 Ca 0.15 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1rey h LEU 12 Cb 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1rey h LEU 12 CO -0.02 0.78 0.09 0.50 0.09 0.00 0.00 178.44 179.88 1rey h LYS 13 N 0.41 0.68 0.00 1.13 3.64 -1.05 -1.26 116.57 120.13 1rey h LYS 13 Ca 0.05 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1rey h LYS 13 Cb 0.75 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1rey h LYS 13 CO 0.06 0.71 -0.15 -0.09 -2.27 0.00 0.00 179.45 177.70 1rey h ARG 14 N 0.55 0.00 -0.20 1.90 2.43 -1.14 -2.09 114.38 115.83 1rey h ARG 14 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1rey h ARG 14 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1rey h ARG 14 CO 0.00 0.15 0.00 1.28 -1.51 0.00 0.00 179.97 179.90 1rey n LEU 15 N -4.27 1.59 0.00 3.80 4.77 -0.88 -4.93 117.00 117.08 1rey n LEU 15 Ca -0.02 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 1rey n LEU 15 Cb 0.22 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1rey n LEU 15 CO 0.35 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1rey n GLY 16 N 1.08 0.59 0.14 -0.72 0.00 -0.78 -4.99 105.19 100.50 1rey n GLY 16 Ca 0.15 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.48 1rey n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1rey h MET 17 N 0.00 0.00 -6.42 1.61 2.86 -1.42 -3.41 114.93 108.16 1rey h MET 17 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1rey h MET 17 Cb 0.32 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1rey h MET 17 CO 0.00 0.00 1.16 0.34 1.06 0.00 0.00 176.91 179.47 1rey s ASP 18 N -5.47 6.16 0.00 1.22 2.15 -1.26 -2.62 116.67 116.86 1rey s ASP 18 Ca 0.03 1.06 0.00 0.00 0.43 0.00 0.00 52.55 54.07 1rey s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1rey s ASP 18 CO 0.73 -1.54 0.00 0.61 -0.17 0.00 0.00 175.17 174.81 1rey n GLY 19 N 5.20 0.63 3.66 2.66 0.00 0.43 -4.91 105.19 112.86 1rey n GLY 19 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1rey n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rey s TYR 20 N -2.17 1.85 -1.49 1.61 5.04 -1.08 -1.62 117.35 119.49 1rey s TYR 20 Ca 0.00 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1rey s TYR 20 Cb 0.00 -3.97 0.00 0.00 0.35 0.00 0.00 41.96 38.34 1rey s TYR 20 CO 0.00 -4.16 0.00 -2.13 -1.34 0.00 0.00 175.55 167.92 1rey n ARG 21 N 7.20 -1.90 -0.95 4.97 0.63 -1.26 -1.13 116.66 124.22 1rey n ARG 21 Ca 0.18 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.95 1rey n ARG 21 Cb 0.42 -5.48 0.00 0.00 0.45 0.00 0.00 32.46 27.85 1rey n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rey n GLY 22 N -0.93 0.65 3.57 5.14 0.00 -0.64 -5.01 105.19 107.98 1rey n GLY 22 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1rey n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rey s ILE 23 N -2.54 5.08 0.67 -0.61 1.01 -0.28 -4.86 121.20 119.66 1rey s ILE 23 Ca 0.00 0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.92 1rey s ILE 23 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1rey s ILE 23 CO 0.00 -0.08 1.15 -0.94 0.00 0.00 0.00 174.94 175.07 1rey s SER 24 N 1.70 4.88 0.28 3.58 1.04 -1.26 -0.43 113.70 123.49 1rey s SER 24 Ca 0.17 2.16 -0.01 0.00 0.48 0.00 0.00 55.95 58.76 1rey s SER 24 Cb -0.16 -2.57 0.48 0.00 0.10 0.00 0.00 66.02 63.87 1rey s SER 24 CO 0.12 -1.79 1.89 0.25 0.98 0.00 0.00 173.24 174.68 1rey h LEU 25 N 0.10 0.97 -1.36 2.42 5.85 -1.91 -1.08 115.31 120.30 1rey h LEU 25 Ca -0.48 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1rey h LEU 25 Cb 1.27 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1rey h LEU 25 CO 0.53 0.61 0.11 0.00 -0.34 0.00 0.00 178.44 179.35 1rey h ALA 26 N 1.49 1.49 -0.36 1.25 0.00 -1.92 -0.36 119.26 120.85 1rey h ALA 26 Ca 0.43 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 1rey h ALA 26 Cb 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rey h ALA 26 CO -0.18 0.38 -0.39 -0.91 0.00 0.00 0.00 179.25 178.16 1rey h ASN 27 N 0.53 0.97 -0.38 0.00 2.35 -1.53 -1.08 115.58 116.44 1rey h ASN 27 Ca 0.13 -0.47 -0.07 0.00 -0.55 0.00 0.00 56.30 55.34 1rey h ASN 27 Cb 0.18 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1rey h ASN 27 CO -0.01 1.24 0.01 -0.50 -1.65 0.00 0.00 177.43 176.53 1rey h TRP 28 N 0.71 0.80 -0.39 1.19 4.06 -0.92 -2.30 115.95 119.10 1rey h TRP 28 Ca 0.05 -0.11 -0.11 0.00 2.06 0.00 0.00 58.89 60.79 1rey h TRP 28 Cb 0.98 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.91 1rey h TRP 28 CO 0.07 0.74 -0.17 0.52 -3.56 0.00 0.00 178.44 176.04 1rey h MET 29 N 0.71 0.80 -0.47 0.49 2.86 -0.96 -2.09 114.93 116.29 1rey h MET 29 Ca 0.14 -0.34 0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1rey h MET 29 Cb 0.43 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 1rey h MET 29 CO 0.02 0.97 0.27 0.00 1.06 0.00 0.00 176.91 179.23 1rey h LEU 31 N 0.55 0.41 -0.67 0.00 8.10 -1.34 -2.23 115.31 120.13 1rey h LEU 31 Ca 0.19 -0.21 -0.10 0.00 0.11 0.00 0.00 57.88 57.87 1rey h LEU 31 Cb 0.02 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 40.10 1rey h LEU 31 CO -0.09 0.85 -0.07 0.00 -4.11 0.00 0.00 178.44 175.02 1rey h ALA 32 N 1.16 0.87 0.50 0.17 0.00 -1.08 0.08 119.26 120.96 1rey h ALA 32 Ca 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1rey h ALA 32 Cb 1.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1rey h ALA 32 CO 0.09 0.65 -0.33 -0.22 0.00 0.00 0.00 179.25 179.43 1rey h LYS 33 N 0.86 -0.77 0.00 0.00 1.63 -0.97 -0.52 116.57 116.80 1rey h LYS 33 Ca 0.14 0.05 -0.14 0.00 -0.85 0.00 0.00 60.65 59.85 1rey h LYS 33 Cb 0.61 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.39 1rey h LYS 33 CO 0.04 -0.51 -0.69 -1.49 -3.45 0.00 0.00 179.45 173.35 1rey h TRP 34 N -0.80 0.00 -0.04 1.91 4.06 -1.37 0.26 115.95 119.97 1rey h TRP 34 Ca -0.05 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.66 1rey h TRP 34 Cb 0.67 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.84 1rey h TRP 34 CO -0.12 0.69 -0.90 0.93 -3.56 0.00 0.00 178.44 175.48 1rey h GLU 35 N 0.00 0.67 0.00 0.49 4.39 -0.94 -3.42 114.58 115.77 1rey h GLU 35 Ca -0.01 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 59.02 1rey h GLU 35 Cb 1.24 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1rey h GLU 35 CO 0.09 1.27 0.00 -1.13 -1.16 0.00 0.00 179.01 178.08 1rey n SER 36 N -3.95 0.03 -2.09 1.42 3.41 -0.26 -4.86 113.62 107.33 1rey n SER 36 Ca -0.10 -0.51 -0.16 0.00 -0.26 0.00 0.00 58.87 57.84 1rey n SER 36 Cb 0.81 0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.81 1rey n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rey n GLY 37 N 0.03 -0.18 2.41 5.00 0.00 0.90 -2.55 105.19 110.79 1rey n GLY 37 Ca 0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1rey n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rey n TYR 38 N -4.12 -0.78 -3.73 1.61 4.01 -1.19 -4.80 117.16 108.17 1rey n TYR 38 Ca -0.10 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.27 1rey n TYR 38 Cb 0.60 -3.72 -0.12 0.00 -0.31 0.00 0.00 39.34 35.78 1rey n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1rey s ASN 39 N -2.22 5.26 0.46 7.72 2.47 -1.06 -1.24 114.94 126.33 1rey s ASN 39 Ca 0.00 -0.28 0.30 0.00 0.42 0.00 0.00 52.86 53.31 1rey s ASN 39 Cb 0.00 -1.95 1.23 0.00 -1.45 0.00 0.00 41.25 39.08 1rey s ASN 39 CO 0.00 -0.07 1.90 0.71 -3.72 0.00 0.00 177.10 175.91 1rey h THR 40 N 5.57 0.00 -0.20 -5.21 1.35 -1.48 -2.95 112.91 109.99 1rey h THR 40 Ca -0.37 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1rey h THR 40 Cb 1.17 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1rey h THR 40 CO 0.58 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.39 1rey n ARG 41 N -2.83 2.19 -1.76 4.72 5.12 -1.26 -4.05 116.66 118.78 1rey n ARG 41 Ca 0.01 -1.77 -0.42 0.00 -1.93 0.00 0.00 57.85 53.74 1rey n ARG 41 Cb 0.29 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.09 1rey n ARG 41 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rey s ALA 42 N -1.75 3.83 0.00 7.54 0.00 -1.13 -4.74 121.76 125.50 1rey s ALA 42 Ca 0.34 1.48 0.01 0.00 0.00 0.00 0.00 51.96 53.79 1rey s ALA 42 Cb 0.21 -3.72 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 1rey s ALA 42 CO 0.30 -1.06 -0.02 0.95 0.00 0.00 0.00 175.76 175.93 1rey s THR 43 N 1.98 0.16 -0.04 0.00 -4.23 -1.26 0.51 115.64 112.76 1rey s THR 43 Ca 0.77 -0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 61.07 1rey s THR 43 Cb -0.47 -0.16 0.03 0.00 1.34 0.00 0.00 72.50 73.24 1rey s THR 43 CO 0.34 -0.02 0.05 0.20 -0.54 0.00 0.00 174.62 174.65 1rey s ASN 44 N -0.23 1.12 -0.05 3.99 -0.87 -0.37 -4.97 114.94 113.57 1rey s ASN 44 Ca -0.01 0.07 -0.17 0.00 -1.57 0.00 0.00 52.86 51.18 1rey s ASN 44 Cb -0.02 -0.16 -0.05 0.00 -0.02 0.00 0.00 41.25 41.00 1rey s ASN 44 CO -0.00 -0.24 0.45 -0.47 -2.57 0.00 0.00 177.10 174.27 1rey s TYR 45 N 2.10 3.63 -0.53 2.20 5.04 -1.26 -0.37 117.35 128.17 1rey s TYR 45 Ca 0.04 0.97 -0.12 0.00 -2.44 0.00 0.00 57.07 55.52 1rey s TYR 45 Cb -0.12 -2.43 0.13 0.00 0.35 0.00 0.00 41.96 39.89 1rey s TYR 45 CO -0.03 0.41 0.44 1.21 -1.34 0.00 0.00 175.55 176.24 1rey s ASN 46 N -0.27 5.97 0.42 4.32 3.84 0.11 -4.92 114.94 124.41 1rey s ASN 46 Ca 0.25 -1.92 0.10 0.00 0.21 0.00 0.00 52.86 51.50 1rey s ASN 46 Cb -0.16 -2.11 0.93 0.00 -0.55 0.00 0.00 41.25 39.36 1rey s ASN 46 CO 0.12 -0.76 2.00 0.00 -2.79 0.00 0.00 177.10 175.68 1rey h ALA 47 N 8.58 1.86 0.02 1.71 0.00 -1.96 0.34 119.26 129.81 1rey h ALA 47 Ca -0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rey h ALA 47 Cb 1.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1rey h ALA 47 CO 0.93 0.04 -0.02 0.78 0.00 0.00 0.00 179.25 180.99 1rey h GLY 48 N 0.51 -0.68 -0.96 0.00 0.00 -1.95 -3.24 103.07 96.73 1rey h GLY 48 Ca 0.24 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1rey h GLY 48 CO -0.07 -0.26 0.00 2.09 0.00 0.00 0.00 176.54 178.31 1rey n ASP 49 N -2.37 1.95 -3.32 0.19 5.68 -1.21 -4.97 116.55 112.51 1rey n ASP 49 Ca -0.00 -1.69 -0.19 0.00 -0.50 0.00 0.00 54.79 52.41 1rey n ASP 49 Cb 0.02 -0.06 0.08 0.00 -1.14 0.00 0.00 41.12 40.02 1rey n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1rey n ARG 50 N 0.51 -6.72 -4.30 0.11 1.74 0.12 -4.83 116.66 103.29 1rey n ARG 50 Ca 0.17 0.79 -0.16 0.00 -0.77 0.00 0.00 57.85 57.88 1rey n ARG 50 Cb 0.40 -5.65 -0.10 0.00 -1.02 0.00 0.00 32.46 26.09 1rey n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1rey s SER 51 N -3.87 2.10 0.02 0.55 1.04 -1.11 -4.44 113.70 108.00 1rey s SER 51 Ca 0.22 -1.06 0.07 0.00 0.48 0.00 0.00 55.95 55.67 1rey s SER 51 Cb -0.10 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 1rey s SER 51 CO 0.68 -0.31 -0.21 -0.89 0.98 0.00 0.00 173.24 173.49 1rey s THR 52 N -3.21 1.66 -0.17 2.02 2.01 -1.26 0.10 115.64 116.78 1rey s THR 52 Ca 0.21 -1.07 -0.09 0.00 0.31 0.00 0.00 61.69 61.05 1rey s THR 52 Cb 0.02 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 1rey s THR 52 CO 0.04 0.32 0.13 -1.81 -0.69 0.00 0.00 174.62 172.61 1rey s ASP 53 N -0.88 6.24 -0.02 3.53 1.11 0.50 -0.69 116.67 126.46 1rey s ASP 53 Ca 0.08 0.30 0.08 0.00 0.18 0.00 0.00 52.55 53.18 1rey s ASP 53 Cb -0.08 -2.07 -0.02 0.00 1.07 0.00 0.00 42.92 41.81 1rey s ASP 53 CO 0.01 0.25 -0.26 -0.31 1.18 0.00 0.00 175.17 176.04 1rey s TYR 54 N -0.08 2.34 0.00 4.23 1.51 -0.19 -1.24 117.35 123.93 1rey s TYR 54 Ca 0.10 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 1rey s TYR 54 Cb -0.11 -1.51 0.00 0.00 -0.11 0.00 0.00 41.96 40.23 1rey s TYR 54 CO -0.00 -0.05 0.00 0.41 -1.11 0.00 0.00 175.55 174.80 1rey n GLY 55 N 2.48 -0.94 0.27 0.71 0.00 0.18 -1.64 105.19 106.25 1rey n GLY 55 Ca -0.16 -1.16 0.08 0.00 0.00 0.00 0.00 46.02 44.78 1rey n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1rey h ILE 56 N 0.00 1.00 -0.02 -0.61 2.10 -1.68 -1.65 117.51 116.65 1rey h ILE 56 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1rey h ILE 56 Cb 0.00 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 36.69 1rey h ILE 56 CO 0.00 0.01 -0.04 0.49 -1.08 0.00 0.00 178.15 177.53 1rey n PHE 57 N -4.53 0.00 -3.58 2.19 3.72 -1.26 -4.16 117.46 109.84 1rey n PHE 57 Ca -0.02 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.11 1rey n PHE 57 Cb 0.09 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.68 1rey n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1rey n GLN 58 N 0.89 -1.73 -2.74 -1.08 1.13 -0.62 -4.92 117.38 108.30 1rey n GLN 58 Ca 0.10 0.57 -0.42 0.00 -1.94 0.00 0.00 57.00 55.31 1rey n GLN 58 Cb 0.44 -4.62 -0.03 0.00 0.11 0.00 0.00 30.24 26.14 1rey n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1rey s ILE 59 N -3.47 4.87 0.24 5.09 1.01 -0.65 -4.46 121.20 123.83 1rey s ILE 59 Ca 0.44 1.98 -0.30 0.00 0.00 0.00 0.00 60.65 62.77 1rey s ILE 59 Cb -0.13 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 37.97 1rey s ILE 59 CO 0.83 0.13 1.11 0.21 0.00 0.00 0.00 174.94 177.22 1rey s ASN 60 N 1.01 7.26 0.05 3.58 3.84 -1.26 -1.02 114.94 128.39 1rey s ASN 60 Ca 0.49 2.21 0.22 0.00 0.21 0.00 0.00 52.86 55.99 1rey s ASN 60 Cb -0.20 -2.62 0.91 0.00 -0.55 0.00 0.00 41.25 38.79 1rey s ASN 60 CO 0.25 -0.18 1.69 -1.54 -2.79 0.00 0.00 177.10 174.53 1rey n SER 61 N 1.68 0.15 0.12 -4.21 3.41 0.14 -2.18 113.62 112.73 1rey n SER 61 Ca 0.01 0.52 -0.21 0.00 -0.26 0.00 0.00 58.87 58.93 1rey n SER 61 Cb 0.45 -0.56 -0.15 0.00 -0.26 0.00 0.00 64.21 63.69 1rey n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1rey h ARG 62 N 0.00 0.41 0.00 4.33 2.43 -1.84 -3.41 114.38 116.30 1rey h ARG 62 Ca 0.00 -0.71 -0.24 0.00 -0.81 0.00 0.00 59.98 58.22 1rey h ARG 62 Cb 0.40 0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 1rey h ARG 62 CO 0.00 1.33 -1.90 0.66 -1.51 0.00 0.00 179.97 178.55 1rey n TYR 63 N -3.62 0.00 -0.09 2.20 4.01 -1.23 0.80 117.16 119.23 1rey n TYR 63 Ca -0.14 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.45 1rey n TYR 63 Cb 1.07 -0.64 -0.07 0.00 -0.31 0.00 0.00 39.34 39.39 1rey n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1rey n TRP 64 N -2.56 0.00 -4.40 -0.72 7.02 -0.93 -0.56 117.44 115.30 1rey n TRP 64 Ca -0.22 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.05 1rey n TRP 64 Cb 0.91 -0.65 -0.10 0.00 -2.42 0.00 0.00 31.31 29.05 1rey n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1rey s ASN 66 N -3.40 5.17 0.00 0.00 2.47 0.26 -4.49 114.94 114.94 1rey s ASN 66 Ca 0.27 -0.15 0.06 0.00 0.42 0.00 0.00 52.86 53.47 1rey s ASN 66 Cb 0.01 -1.91 0.06 0.00 -1.45 0.00 0.00 41.25 37.97 1rey s ASN 66 CO 0.10 0.03 0.74 -0.90 -3.72 0.00 0.00 177.10 173.36 1rey n ASP 67 N 4.49 1.63 0.00 -4.21 5.68 -1.26 -1.03 116.55 121.84 1rey n ASP 67 Ca -0.16 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 1rey n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1rey n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rey n GLY 68 N 0.33 2.12 0.78 6.12 0.00 -1.26 -4.76 105.19 108.52 1rey n GLY 68 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1rey n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rey n LYS 69 N -1.77 2.62 -3.61 1.61 2.85 -1.26 -4.94 118.16 113.66 1rey n LYS 69 Ca 0.00 -2.09 -0.37 0.00 -1.05 0.00 0.00 58.31 54.79 1rey n LYS 69 Cb 0.00 -1.33 -0.10 0.00 -0.65 0.00 0.00 35.03 32.95 1rey n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1rey s THR 70 N -1.02 5.32 0.21 0.58 2.01 -1.26 -5.01 115.64 116.47 1rey s THR 70 Ca 0.28 0.20 -0.31 0.00 0.31 0.00 0.00 61.69 62.17 1rey s THR 70 Cb 0.15 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 69.03 1rey s THR 70 CO 0.20 0.28 1.54 -2.84 -0.69 0.00 0.00 174.62 173.11 1rey s PRO 71 N 1.50 4.21 -1.32 4.92 0.02 -1.26 -3.23 135.00 139.84 1rey s PRO 71 Ca 0.08 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1rey s PRO 71 Cb -0.15 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.25 1rey s PRO 71 CO 0.08 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 1rey n GLY 72 N 3.08 -0.17 3.77 0.52 0.00 -1.26 -4.98 105.19 106.15 1rey n GLY 72 Ca 0.11 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1rey n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rey s ALA 73 N -2.75 2.70 -0.10 4.61 0.00 -1.20 -4.88 121.76 120.14 1rey s ALA 73 Ca 0.00 0.85 0.05 0.00 0.00 0.00 0.00 51.96 52.86 1rey s ALA 73 Cb 0.00 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 1rey s ALA 73 CO 0.00 -0.79 -0.02 0.28 0.00 0.00 0.00 175.76 175.23 1rey n VAL 74 N -1.26 0.65 -3.41 0.00 0.31 0.24 -4.99 118.33 109.86 1rey n VAL 74 Ca 0.11 -0.34 -0.18 0.00 -0.01 0.00 0.00 64.34 63.92 1rey n VAL 74 Cb 0.51 -0.82 0.07 0.00 -0.91 0.00 0.00 33.84 32.69 1rey n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1rey n ASN 75 N -2.53 -4.24 0.23 4.52 5.15 -1.13 -4.91 115.26 112.36 1rey n ASN 75 Ca -0.17 -0.72 0.09 0.00 -0.60 0.00 0.00 54.58 53.17 1rey n ASN 75 Cb 0.77 -4.85 0.57 0.00 -0.53 0.00 0.00 39.78 35.73 1rey n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rey h ALA 76 N 0.46 1.29 -0.00 5.20 0.00 -0.79 -1.88 119.26 123.54 1rey h ALA 76 Ca -0.61 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1rey h ALA 76 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1rey h ALA 76 CO 0.48 0.26 -0.20 0.00 0.00 0.00 0.00 179.25 179.79 1rey n HIS 78 N -1.18 -1.90 -4.14 0.00 -0.00 -0.71 -4.97 115.22 102.32 1rey n HIS 78 Ca 0.10 0.82 -0.14 0.00 -0.00 0.00 0.00 57.72 58.51 1rey n HIS 78 Cb 0.31 -4.32 -0.11 0.00 -0.00 0.00 0.00 29.99 25.87 1rey n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1rey s LEU 79 N -6.67 2.35 0.10 2.41 1.43 -1.26 -5.06 118.68 111.98 1rey s LEU 79 Ca 0.02 -0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 52.15 1rey s LEU 79 Cb -0.01 -0.26 -0.07 0.00 0.03 0.00 0.00 46.19 45.88 1rey s LEU 79 CO 0.82 -0.24 0.77 -0.55 0.23 0.00 0.00 176.35 177.38 1rey s SER 80 N -2.11 7.29 0.61 2.29 0.15 -1.26 -0.57 113.70 120.10 1rey s SER 80 Ca -0.00 1.54 0.31 0.00 0.70 0.00 0.00 55.95 58.49 1rey s SER 80 Cb -0.06 -2.48 1.74 0.00 -1.71 0.00 0.00 66.02 63.51 1rey s SER 80 CO -0.00 0.10 2.11 0.00 1.20 0.00 0.00 173.24 176.65 1rey h SER 82 N 0.00 0.14 0.20 0.00 4.64 -1.92 -1.44 113.55 115.17 1rey h SER 82 Ca 0.07 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1rey h SER 82 Cb 0.46 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1rey h SER 82 CO -0.00 0.29 -0.03 0.00 -0.87 0.00 0.00 176.83 176.22 1rey h ALA 83 N 1.73 1.21 -0.35 5.18 0.00 -1.52 -0.05 119.26 125.45 1rey h ALA 83 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rey h ALA 83 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1rey h ALA 83 CO 0.02 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1rey n LEU 84 N -3.42 2.02 -0.27 0.00 4.77 -0.54 -3.56 117.00 116.00 1rey n LEU 84 Ca -0.02 -1.01 0.03 0.00 -0.03 0.00 0.00 56.01 54.97 1rey n LEU 84 Cb 0.14 -0.26 0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1rey n LEU 84 CO 0.25 0.48 0.46 0.18 -1.33 0.00 0.00 177.39 177.43 1rey n LEU 85 N 0.53 2.00 -4.80 2.23 4.77 -0.03 -3.53 117.00 118.17 1rey n LEU 85 Ca 0.12 -1.55 -0.30 0.00 -0.03 0.00 0.00 56.01 54.25 1rey n LEU 85 Cb 0.33 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1rey n LEU 85 CO 0.09 0.47 0.71 -1.10 -1.33 0.00 0.00 177.39 176.23 1rey s GLN 86 N -0.75 2.34 0.19 3.23 -0.21 -1.23 -4.56 119.66 118.67 1rey s GLN 86 Ca 0.09 0.79 0.05 0.00 0.02 0.00 0.00 55.36 56.31 1rey s GLN 86 Cb 0.05 -1.93 0.09 0.00 1.00 0.00 0.00 33.01 32.21 1rey s GLN 86 CO 0.07 -1.48 1.44 -0.44 -2.12 0.00 0.00 175.29 172.77 1rey h ASP 87 N -0.99 0.18 -3.32 5.90 3.32 -1.93 -3.42 116.42 116.17 1rey h ASP 87 Ca -0.46 -0.14 -0.57 0.00 0.02 0.00 0.00 57.03 55.89 1rey h ASP 87 Cb 1.25 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 1rey h ASP 87 CO 0.58 0.90 0.38 0.21 -1.72 0.00 0.00 179.24 179.58 1rey s ASN 88 N -6.88 7.08 -0.09 6.45 3.84 -1.26 -4.95 114.94 119.13 1rey s ASN 88 Ca -0.02 1.32 0.16 0.00 0.21 0.00 0.00 52.86 54.53 1rey s ASN 88 Cb 0.11 -2.49 0.62 0.00 -0.55 0.00 0.00 41.25 38.95 1rey s ASN 88 CO 0.81 -0.35 1.51 2.30 -2.79 0.00 0.00 177.10 178.59 1rey n ILE 89 N 4.43 1.52 -0.04 -5.21 -5.35 -1.26 -4.54 119.36 108.90 1rey n ILE 89 Ca 0.05 -1.00 -0.09 0.00 -0.27 0.00 0.00 62.75 61.44 1rey n ILE 89 Cb 0.49 0.10 -0.03 0.00 -1.74 0.00 0.00 39.64 38.47 1rey n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rey h ALA 90 N 3.97 0.16 -0.73 -1.28 0.00 -1.95 -1.09 119.26 118.34 1rey h ALA 90 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1rey h ALA 90 Cb 1.25 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1rey h ALA 90 CO 0.19 -0.44 0.33 -0.44 0.00 0.00 0.00 179.25 178.88 1rey h ASP 91 N 0.05 0.97 -0.64 0.00 3.32 -1.88 -1.47 116.42 116.76 1rey h ASP 91 Ca 0.09 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1rey h ASP 91 Cb 0.12 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1rey h ASP 91 CO -0.16 0.83 0.38 0.00 -1.72 0.00 0.00 179.24 178.57 1rey h ALA 92 N 1.31 0.82 -0.28 3.45 0.00 -1.70 -0.93 119.26 121.92 1rey h ALA 92 Ca 0.25 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1rey h ALA 92 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1rey h ALA 92 CO -0.03 0.30 -0.05 0.28 0.00 0.00 0.00 179.25 179.75 1rey h VAL 93 N 0.87 1.28 -0.77 0.00 2.07 -0.89 0.12 116.25 118.93 1rey h VAL 93 Ca 0.23 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1rey h VAL 93 Cb -0.01 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1rey h VAL 93 CO -0.04 0.34 0.51 0.00 0.02 0.00 0.00 177.57 178.39 1rey h ALA 94 N 0.79 0.97 -0.35 1.67 0.00 -1.07 -0.08 119.26 121.19 1rey h ALA 94 Ca 0.07 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1rey h ALA 94 Cb 0.52 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1rey h ALA 94 CO 0.03 0.39 -0.23 0.00 0.00 0.00 0.00 179.25 179.44 1rey h ALA 96 N 0.77 1.68 -0.29 0.00 0.00 -0.27 -0.42 119.26 120.72 1rey h ALA 96 Ca 0.07 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1rey h ALA 96 Cb 0.79 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1rey h ALA 96 CO 0.06 0.26 -0.31 0.87 0.00 0.00 0.00 179.25 180.13 1rey h LYS 97 N 0.70 0.62 -0.58 0.00 1.57 -0.80 -2.88 116.57 115.20 1rey h LYS 97 Ca 0.23 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1rey h LYS 97 Cb 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1rey h LYS 97 CO -0.06 0.85 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.54 1rey h ARG 98 N 0.53 1.04 0.03 3.15 9.65 -0.66 -3.11 114.38 125.01 1rey h ARG 98 Ca 0.06 -0.35 0.02 0.00 -1.10 0.00 0.00 59.98 58.61 1rey h ARG 98 Cb 0.80 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.27 1rey h ARG 98 CO 0.07 1.04 -0.12 0.28 2.80 0.00 0.00 179.97 184.04 1rey h VAL 99 N 0.94 0.72 0.00 0.20 2.07 -0.98 -1.58 116.25 117.62 1rey h VAL 99 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1rey h VAL 99 Cb 0.60 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1rey h VAL 99 CO 0.04 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.96 1rey n VAL 100 N -5.24 1.25 1.20 2.57 0.24 -1.13 -1.51 118.33 115.69 1rey n VAL 100 Ca -0.06 0.56 0.14 0.00 -2.04 0.00 0.00 64.34 62.94 1rey n VAL 100 Cb 0.16 -1.53 0.62 0.00 -1.47 0.00 0.00 33.84 31.63 1rey n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rey n ARG 101 N -2.00 0.24 -2.13 7.34 1.74 -0.60 -4.23 116.66 117.02 1rey n ARG 101 Ca -0.00 -0.04 -0.28 0.00 -0.77 0.00 0.00 57.85 56.76 1rey n ARG 101 Cb 0.07 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.05 1rey n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rey s ASP 102 N -2.78 5.54 0.20 0.55 1.11 -0.57 -4.95 116.67 115.76 1rey s ASP 102 Ca 0.21 0.94 -0.21 0.00 0.18 0.00 0.00 52.55 53.66 1rey s ASP 102 Cb 0.19 -1.84 0.13 0.00 1.07 0.00 0.00 42.92 42.48 1rey s ASP 102 CO 0.52 -1.20 1.51 -2.65 1.18 0.00 0.00 175.17 174.53 1rey n PRO 103 N -2.80 -0.30 0.07 8.23 -0.02 -1.26 -1.44 135.00 137.48 1rey n PRO 103 Ca 0.06 1.49 0.10 0.00 -2.02 0.00 0.00 63.50 63.14 1rey n PRO 103 Cb 0.57 -2.21 0.43 0.00 -0.02 0.00 0.00 33.50 32.27 1rey n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rey n GLN 104 N -5.37 0.12 0.00 -0.52 10.64 -1.26 -4.97 117.38 116.02 1rey n GLN 104 Ca 0.07 0.31 0.00 0.00 -1.83 0.00 0.00 57.00 55.55 1rey n GLN 104 Cb 0.35 -1.71 0.00 0.00 -0.86 0.00 0.00 30.24 28.02 1rey n GLN 104 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1rey n GLY 105 N 0.25 2.96 0.02 2.61 0.00 -0.52 -2.56 105.19 107.96 1rey n GLY 105 Ca 0.03 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.78 1rey n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1rey n ILE 106 N 0.00 1.11 0.91 -0.61 3.06 -1.26 -1.89 119.36 120.67 1rey n ILE 106 Ca 0.00 0.29 0.08 0.00 -2.50 0.00 0.00 62.75 60.62 1rey n ILE 106 Cb 0.00 -1.11 0.45 0.00 0.54 0.00 0.00 39.64 39.52 1rey n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1rey n ARG 107 N -1.63 0.38 0.24 9.51 3.00 -1.06 -2.19 116.66 124.91 1rey n ARG 107 Ca 0.03 0.07 0.12 0.00 -0.01 0.00 0.00 57.85 58.05 1rey n ARG 107 Cb 0.15 -1.50 0.53 0.00 0.00 0.00 0.00 32.46 31.65 1rey n ARG 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1rey h ALA 108 N 2.91 1.04 -2.41 7.54 0.00 -1.57 -3.41 119.26 123.37 1rey h ALA 108 Ca 0.00 -0.15 -0.68 0.00 0.00 0.00 0.00 54.91 54.07 1rey h ALA 108 Cb 0.08 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 17.66 1rey h ALA 108 CO 0.00 0.21 -0.19 -1.58 0.00 0.00 0.00 179.25 177.69 1rey s TRP 109 N -3.72 3.17 0.26 0.00 0.51 -0.93 -4.95 118.94 113.28 1rey s TRP 109 Ca 0.00 -0.26 -0.02 0.00 -2.12 0.00 0.00 56.10 53.71 1rey s TRP 109 Cb 0.10 -2.88 0.53 0.00 -0.81 0.00 0.00 33.47 30.41 1rey s TRP 109 CO 0.61 -0.65 1.73 0.28 -0.51 0.00 0.00 176.95 178.41 1rey h VAL 110 N 5.70 0.65 -0.41 4.03 2.07 -1.88 -1.58 116.25 124.82 1rey h VAL 110 Ca -0.27 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1rey h VAL 110 Cb 1.12 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1rey h VAL 110 CO 0.78 0.09 0.10 0.00 0.02 0.00 0.00 177.57 178.56 1rey h ALA 111 N 1.58 1.41 -0.43 1.67 0.00 -1.93 -1.90 119.26 119.65 1rey h ALA 111 Ca 0.45 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1rey h ALA 111 Cb 0.71 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1rey h ALA 111 CO -0.41 0.43 -0.09 2.35 0.00 0.00 0.00 179.25 181.52 1rey h TRP 112 N 0.59 0.93 -0.95 0.00 7.01 -1.61 -0.32 115.95 121.59 1rey h TRP 112 Ca 0.14 -0.20 0.01 0.00 2.11 0.00 0.00 58.89 60.95 1rey h TRP 112 Cb 0.23 -0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 27.01 1rey h TRP 112 CO 0.01 0.93 0.63 0.00 -2.79 0.00 0.00 178.44 177.22 1rey h ARG 113 N 0.65 1.26 0.02 2.65 3.08 -1.16 0.95 114.38 121.84 1rey h ARG 113 Ca 0.11 -0.08 -0.28 0.00 0.07 0.00 0.00 59.98 59.80 1rey h ARG 113 Cb 0.63 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1rey h ARG 113 CO 0.04 0.84 -1.54 -0.91 -1.07 0.00 0.00 179.97 177.33 1rey h ASN 114 N 1.30 0.07 0.00 7.04 2.35 -1.24 -3.40 115.58 121.70 1rey h ASN 114 Ca 0.35 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1rey h ASN 114 Cb -0.15 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1rey h ASN 114 CO -0.07 1.11 -0.71 0.54 -1.65 0.00 0.00 177.43 176.65 1rey n ARG 115 N -3.19 2.22 -0.07 0.81 1.74 -0.14 -4.89 116.66 113.13 1rey n ARG 115 Ca -0.14 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.84 1rey n ARG 115 Cb 1.02 -0.86 -0.07 0.00 -1.02 0.00 0.00 32.46 31.54 1rey n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rey n GLN 117 N -2.87 1.97 -4.11 0.00 7.27 0.18 -2.36 117.38 117.47 1rey n GLN 117 Ca -0.24 0.69 -0.32 0.00 0.07 0.00 0.00 57.00 57.20 1rey n GLN 117 Cb 0.78 -2.23 -0.02 0.00 2.41 0.00 0.00 30.24 31.17 1rey n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1rey n ASN 118 N 0.85 -2.22 -4.01 1.69 4.13 -1.26 -4.95 115.26 109.48 1rey n ASN 118 Ca 0.06 -1.00 -0.08 0.00 1.68 0.00 0.00 54.58 55.23 1rey n ASN 118 Cb 0.35 -2.92 -0.10 0.00 -1.54 0.00 0.00 39.78 35.57 1rey n ASN 118 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1rey s ARG 119 N -6.79 0.45 -0.31 3.52 3.52 -1.00 -5.11 118.95 113.24 1rey s ARG 119 Ca 0.45 -0.84 -0.29 0.00 -0.13 0.00 0.00 55.73 54.93 1rey s ARG 119 Cb -0.24 0.16 0.02 0.00 -1.56 0.00 0.00 34.95 33.32 1rey s ARG 119 CO 0.91 -0.08 1.05 0.34 -0.81 0.00 0.00 175.30 176.71 1rey s ASP 120 N -2.05 6.93 -0.06 -2.12 2.15 -1.26 -4.92 116.67 115.34 1rey s ASP 120 Ca -0.07 1.05 0.10 0.00 0.43 0.00 0.00 52.55 54.07 1rey s ASP 120 Cb -0.03 -2.53 0.27 0.00 -0.30 0.00 0.00 42.92 40.33 1rey s ASP 120 CO -0.05 -0.85 1.20 1.33 -0.17 0.00 0.00 175.17 176.64 1rey n VAL 121 N 5.81 1.41 0.08 1.11 0.24 -1.26 -4.73 118.33 120.98 1rey n VAL 121 Ca 0.11 -1.38 0.15 0.00 -2.04 0.00 0.00 64.34 61.18 1rey n VAL 121 Cb 0.47 0.23 0.64 0.00 -1.47 0.00 0.00 33.84 33.71 1rey n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1rey h ARG 122 N 1.10 0.06 0.00 7.34 3.08 -1.91 -2.06 114.38 121.99 1rey h ARG 122 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rey h ARG 122 Cb 0.86 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1rey h ARG 122 CO 0.05 0.04 0.01 -0.56 -1.07 0.00 0.00 179.97 178.44 1rey h GLN 123 N 0.06 0.00 0.00 0.04 3.07 -1.96 -1.96 115.11 114.36 1rey h GLN 123 Ca 0.17 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.85 1rey h GLN 123 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.14 1rey h GLN 123 CO -0.01 0.00 -0.27 1.88 0.09 0.00 0.00 178.83 180.52 1rey h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.71 -3.35 116.97 112.02 1rey h TYR 124 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1rey h TYR 124 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1rey h TYR 124 CO 0.00 0.27 -0.06 1.33 -1.05 0.00 0.00 178.16 178.65 1rey n VAL 125 N -3.26 0.00 -1.73 -2.88 0.24 -0.78 -4.85 118.33 105.07 1rey n VAL 125 Ca 0.02 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.42 1rey n VAL 125 Cb 0.55 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.89 1rey n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1rey s GLN 126 N -1.10 4.15 0.00 7.34 -0.21 -0.93 -2.16 119.66 126.75 1rey s GLN 126 Ca 0.01 2.55 0.00 0.00 0.02 0.00 0.00 55.36 57.94 1rey s GLN 126 Cb 0.01 -3.97 0.00 0.00 1.00 0.00 0.00 33.01 30.05 1rey s GLN 126 CO 0.05 -0.90 0.00 0.41 -2.12 0.00 0.00 175.29 172.73 1rey n GLY 127 N 4.39 0.61 0.03 3.09 0.00 -1.26 -4.96 105.19 107.10 1rey n GLY 127 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1rey n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rey n GLY 129 N 1.42 0.47 0.00 0.00 0.00 -1.26 -4.88 105.19 100.94 1rey n GLY 129 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1rey n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65