#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c45 s VAL 2 N 0.00 3.24 0.56 0.00 1.01 -1.26 -0.63 120.40 123.31 1c45 s VAL 2 Ca 0.00 -1.44 -0.18 0.00 0.00 0.00 0.00 61.98 60.36 1c45 s VAL 2 Cb 0.00 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1c45 s VAL 2 CO 0.00 -0.23 1.07 -0.36 0.00 0.00 0.00 175.10 175.58 1c45 s PHE 3 N 1.27 2.92 0.21 5.22 0.08 -0.37 -5.00 117.98 122.30 1c45 s PHE 3 Ca -0.02 1.54 -0.09 0.00 0.12 0.00 0.00 56.93 58.48 1c45 s PHE 3 Cb -0.20 -3.08 -0.07 0.00 -0.57 0.00 0.00 43.02 39.10 1c45 s PHE 3 CO -0.01 -1.14 0.52 -1.21 -0.10 0.00 0.00 175.22 173.28 1c45 s GLU 4 N -3.71 3.78 0.02 0.44 2.02 -1.26 -4.85 118.70 115.13 1c45 s GLU 4 Ca 0.66 0.22 -0.03 0.00 0.02 0.00 0.00 54.97 55.85 1c45 s GLU 4 Cb -0.18 -2.70 -0.01 0.00 0.10 0.00 0.00 34.13 31.34 1c45 s GLU 4 CO 0.31 0.36 1.04 -2.13 0.02 0.00 0.00 175.26 174.85 1c45 n ARG 5 N -0.02 -0.04 0.02 1.61 0.63 -1.26 -1.71 116.66 115.88 1c45 n ARG 5 Ca -0.00 1.04 0.02 0.00 -0.92 0.00 0.00 57.85 57.98 1c45 n ARG 5 Cb 0.52 -1.55 0.36 0.00 0.45 0.00 0.00 32.46 32.24 1c45 n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1c45 h GLU 7 N 0.48 0.80 -0.48 0.00 4.57 -1.88 -1.77 114.58 116.31 1c45 h GLU 7 Ca 0.12 -0.26 -0.10 0.00 -1.18 0.00 0.00 59.36 57.94 1c45 h GLU 7 Cb 0.18 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1c45 h GLU 7 CO -0.00 0.87 -0.07 1.25 -1.18 0.00 0.00 179.01 179.87 1c45 h LEU 8 N 0.73 0.89 -0.50 1.64 5.85 -0.73 -1.12 115.31 122.07 1c45 h LEU 8 Ca 0.12 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.57 1c45 h LEU 8 Cb 0.58 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1c45 h LEU 8 CO 0.04 1.02 0.18 0.00 -0.34 0.00 0.00 178.44 179.34 1c45 h ALA 9 N 0.90 0.61 -0.27 1.25 0.00 -0.65 0.73 119.26 121.82 1c45 h ALA 9 Ca 0.13 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1c45 h ALA 9 Cb 0.61 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1c45 h ALA 9 CO 0.04 -0.21 -0.36 0.00 0.00 0.00 0.00 179.25 178.72 1c45 h ARG 10 N 0.37 0.60 -0.57 0.00 3.08 -1.25 -1.64 114.38 114.96 1c45 h ARG 10 Ca 0.24 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1c45 h ARG 10 Cb 0.24 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1c45 h ARG 10 CO -0.24 0.87 0.25 1.15 -1.07 0.00 0.00 179.97 180.93 1c45 h THR 11 N 0.50 1.22 -0.44 2.04 2.02 -0.37 -0.30 112.91 117.57 1c45 h THR 11 Ca 0.05 -0.64 -0.13 0.00 0.77 0.00 0.00 66.41 66.46 1c45 h THR 11 Cb 0.86 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1c45 h THR 11 CO 0.07 0.25 -0.22 -0.07 0.37 0.00 0.00 175.52 175.92 1c45 h LEU 12 N 0.77 0.92 -0.46 2.58 3.38 -0.74 -2.66 115.31 119.10 1c45 h LEU 12 Ca 0.19 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1c45 h LEU 12 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1c45 h LEU 12 CO -0.02 1.10 0.08 0.50 0.09 0.00 0.00 178.44 180.19 1c45 h LYS 13 N 0.78 0.77 0.00 1.13 3.64 -0.92 -2.16 116.57 119.81 1c45 h LYS 13 Ca 0.10 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1c45 h LYS 13 Cb 0.77 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1c45 h LYS 13 CO 0.06 0.78 -0.07 0.00 -2.27 0.00 0.00 179.45 177.95 1c45 h ARG 14 N 0.63 0.00 -0.06 1.90 3.08 -1.01 -1.57 114.38 117.36 1c45 h ARG 14 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1c45 h ARG 14 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1c45 h ARG 14 CO 0.01 0.07 0.00 1.28 -1.07 0.00 0.00 179.97 180.26 1c45 n LEU 15 N -4.46 0.54 0.00 3.04 4.77 -0.86 -4.92 117.00 115.12 1c45 n LEU 15 Ca -0.03 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1c45 n LEU 15 Cb 0.15 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1c45 n LEU 15 CO 0.35 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1c45 n GLY 16 N 0.87 0.48 0.15 -0.72 0.00 -0.59 -4.99 105.19 100.39 1c45 n GLY 16 Ca 0.13 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 45.29 1c45 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1c45 h MET 17 N 0.00 0.00 -6.07 1.61 2.86 -1.62 -3.40 114.93 108.31 1c45 h MET 17 Ca 0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 1c45 h MET 17 Cb 0.19 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1c45 h MET 17 CO 0.00 0.18 1.38 0.34 1.06 0.00 0.00 176.91 179.87 1c45 s ASP 18 N -5.99 5.49 0.00 1.22 2.15 -1.26 -1.79 116.67 116.49 1c45 s ASP 18 Ca 0.03 1.18 0.00 0.00 0.43 0.00 0.00 52.55 54.19 1c45 s ASP 18 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1c45 s ASP 18 CO 0.75 -2.05 0.00 0.61 -0.17 0.00 0.00 175.17 174.31 1c45 n GLY 19 N 5.62 0.62 3.65 2.66 0.00 0.13 -4.92 105.19 112.94 1c45 n GLY 19 Ca 0.25 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.84 1c45 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1c45 n TYR 20 N -2.74 2.36 -3.89 1.61 9.36 -0.74 -0.81 117.16 122.30 1c45 n TYR 20 Ca 0.00 -0.25 -0.29 0.00 3.32 0.00 0.00 57.90 60.68 1c45 n TYR 20 Cb 0.00 -2.76 0.03 0.00 -0.63 0.00 0.00 39.34 35.98 1c45 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1c45 n ARG 21 N 7.63 -5.64 -0.98 2.98 5.12 -1.26 -1.91 116.66 122.60 1c45 n ARG 21 Ca 0.23 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 56.76 1c45 n ARG 21 Cb 0.39 -5.49 0.00 0.00 -1.16 0.00 0.00 32.46 26.19 1c45 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1c45 n GLY 22 N -1.71 0.47 3.56 -0.13 0.00 0.01 -5.00 105.19 102.38 1c45 n GLY 22 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1c45 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c45 s ILE 23 N -2.09 5.19 0.84 -0.61 1.01 -0.80 -4.91 121.20 119.82 1c45 s ILE 23 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.65 1c45 s ILE 23 Cb 0.00 -3.77 0.10 0.00 0.01 0.00 0.00 42.46 38.80 1c45 s ILE 23 CO 0.00 -0.02 1.13 -0.94 0.00 0.00 0.00 174.94 175.11 1c45 s SER 24 N 1.72 3.67 0.22 3.58 1.04 -1.26 -0.69 113.70 121.98 1c45 s SER 24 Ca 0.11 2.05 -0.08 0.00 0.48 0.00 0.00 55.95 58.52 1c45 s SER 24 Cb -0.16 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.58 1c45 s SER 24 CO 0.11 -2.60 1.81 0.25 0.98 0.00 0.00 173.24 173.80 1c45 h LEU 25 N -1.44 1.07 -1.51 2.42 5.85 -1.92 -2.18 115.31 117.61 1c45 h LEU 25 Ca -0.44 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.17 1c45 h LEU 25 Cb 1.25 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1c45 h LEU 25 CO 0.46 0.90 0.36 0.00 -0.34 0.00 0.00 178.44 179.82 1c45 h ALA 26 N 1.21 1.69 -0.33 1.25 0.00 -1.92 -0.53 119.26 120.64 1c45 h ALA 26 Ca 0.28 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1c45 h ALA 26 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1c45 h ALA 26 CO -0.04 0.27 -0.08 -0.91 0.00 0.00 0.00 179.25 178.49 1c45 h ASN 27 N 0.66 0.64 -0.81 0.00 2.35 -1.72 -1.23 115.58 115.46 1c45 h ASN 27 Ca 0.21 -0.37 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 1c45 h ASN 27 Cb 0.02 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.18 1c45 h ASN 27 CO -0.05 0.86 0.41 -0.50 -1.65 0.00 0.00 177.43 176.49 1c45 h TRP 28 N 0.41 1.15 -0.40 1.19 4.06 -1.05 -1.34 115.95 119.98 1c45 h TRP 28 Ca 0.08 -0.05 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 1c45 h TRP 28 Cb 0.58 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 1c45 h TRP 28 CO 0.05 0.83 0.12 0.52 -3.56 0.00 0.00 178.44 176.40 1c45 h MET 29 N 1.16 0.62 -0.88 0.49 2.86 -0.96 -1.41 114.93 116.81 1c45 h MET 29 Ca 0.28 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1c45 h MET 29 Cb 0.09 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1c45 h MET 29 CO -0.04 0.62 0.50 0.00 1.06 0.00 0.00 176.91 179.06 1c45 h LEU 31 N 1.22 -0.28 -0.83 0.00 5.85 -1.03 -1.44 115.31 118.80 1c45 h LEU 31 Ca 0.31 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1c45 h LEU 31 Cb -0.01 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1c45 h LEU 31 CO -0.05 -0.08 0.40 0.00 -0.34 0.00 0.00 178.44 178.36 1c45 h ALA 32 N 0.26 1.07 0.45 1.25 0.00 -1.07 0.18 119.26 121.40 1c45 h ALA 32 Ca -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1c45 h ALA 32 Cb 0.35 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1c45 h ALA 32 CO 0.06 0.64 -0.27 -0.22 0.00 0.00 0.00 179.25 179.45 1c45 h LYS 33 N 1.19 -0.66 0.00 0.00 1.63 -0.96 -1.53 116.57 116.24 1c45 h LYS 33 Ca 0.29 0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 60.05 1c45 h LYS 33 Cb 0.12 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1c45 h LYS 33 CO -0.04 -0.44 -0.36 -1.49 -3.45 0.00 0.00 179.45 173.67 1c45 h TRP 34 N -0.69 0.00 0.07 1.91 4.06 -1.11 -0.03 115.95 120.17 1c45 h TRP 34 Ca -0.05 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.67 1c45 h TRP 34 Cb 0.56 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.74 1c45 h TRP 34 CO -0.09 0.36 -0.93 0.93 -3.56 0.00 0.00 178.44 175.16 1c45 h GLU 35 N 0.00 0.50 0.00 0.49 4.39 -0.53 -3.43 114.58 116.00 1c45 h GLU 35 Ca -0.00 -0.63 0.00 0.00 0.34 0.00 0.00 59.36 59.06 1c45 h GLU 35 Cb 0.93 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1c45 h GLU 35 CO 0.05 1.26 0.00 -1.13 -1.16 0.00 0.00 179.01 178.03 1c45 n SER 36 N -4.01 0.00 -1.24 1.42 3.41 -0.62 -4.82 113.62 107.76 1c45 n SER 36 Ca -0.12 -0.63 -0.09 0.00 -0.26 0.00 0.00 58.87 57.77 1c45 n SER 36 Cb 0.84 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.80 1c45 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c45 n GLY 37 N 0.00 0.13 2.31 5.00 0.00 -0.03 -2.85 105.19 109.75 1c45 n GLY 37 Ca 0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 1c45 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1c45 n TYR 38 N -3.85 -0.62 -3.64 1.61 0.53 -1.12 -4.76 117.16 105.31 1c45 n TYR 38 Ca -0.07 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.43 1c45 n TYR 38 Cb 0.56 -3.11 -0.11 0.00 -1.03 0.00 0.00 39.34 35.65 1c45 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1c45 s ASN 39 N -2.39 5.63 0.49 7.72 2.47 -1.13 -1.24 114.94 126.49 1c45 s ASN 39 Ca 0.00 -0.51 0.28 0.00 0.42 0.00 0.00 52.86 53.05 1c45 s ASN 39 Cb 0.00 -2.02 1.09 0.00 -1.45 0.00 0.00 41.25 38.87 1c45 s ASN 39 CO 0.00 -0.20 1.89 0.71 -3.72 0.00 0.00 177.10 175.78 1c45 h THR 40 N 5.63 0.34 -0.73 -5.21 1.35 -1.18 -3.03 112.91 110.09 1c45 h THR 40 Ca -0.32 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1c45 h THR 40 Cb 1.15 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1c45 h THR 40 CO 0.62 0.13 0.00 -2.11 -0.25 0.00 0.00 175.52 173.91 1c45 n ARG 41 N -3.28 2.91 -1.90 4.72 1.85 -1.26 -4.00 116.66 115.69 1c45 n ARG 41 Ca 0.00 -2.70 -0.41 0.00 -1.00 0.00 0.00 57.85 53.74 1c45 n ARG 41 Cb 0.38 -1.64 -0.01 0.00 -1.05 0.00 0.00 32.46 30.14 1c45 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1c45 s ALA 42 N -1.17 3.57 -0.00 2.89 0.00 -1.15 -4.79 121.76 121.11 1c45 s ALA 42 Ca 0.50 1.48 -0.06 0.00 0.00 0.00 0.00 51.96 53.88 1c45 s ALA 42 Cb 0.27 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 1c45 s ALA 42 CO 0.32 -0.92 0.11 0.95 0.00 0.00 0.00 175.76 176.21 1c45 s THR 43 N -0.98 0.08 -0.13 0.00 -4.23 -1.26 -1.14 115.64 107.98 1c45 s THR 43 Ca 0.53 -0.62 -0.04 0.00 -1.18 0.00 0.00 61.69 60.37 1c45 s THR 43 Cb -0.45 -0.37 0.05 0.00 1.34 0.00 0.00 72.50 73.08 1c45 s THR 43 CO 0.58 -0.34 0.08 0.21 -0.54 0.00 0.00 174.62 174.61 1c45 s ASN 44 N -1.18 1.93 0.06 3.99 2.47 -0.77 -4.97 114.94 116.47 1c45 s ASN 44 Ca -0.13 -0.37 -0.23 0.00 0.42 0.00 0.00 52.86 52.54 1c45 s ASN 44 Cb -0.07 -0.20 -0.06 0.00 -1.45 0.00 0.00 41.25 39.47 1c45 s ASN 44 CO 0.01 -0.32 0.71 -0.47 -3.72 0.00 0.00 177.10 173.31 1c45 s TYR 45 N 2.15 3.76 -0.61 0.43 6.14 -1.26 -0.63 117.35 127.33 1c45 s TYR 45 Ca 0.03 1.42 -0.07 0.00 0.64 0.00 0.00 57.07 59.10 1c45 s TYR 45 Cb -0.15 -2.73 0.16 0.00 0.42 0.00 0.00 41.96 39.66 1c45 s TYR 45 CO -0.07 0.37 0.47 -0.80 0.64 0.00 0.00 175.55 176.16 1c45 s ASN 46 N -0.39 5.69 0.46 4.32 0.01 0.14 -4.96 114.94 120.22 1c45 s ASN 46 Ca 0.35 -2.51 0.17 0.00 -0.71 0.00 0.00 52.86 50.16 1c45 s ASN 46 Cb -0.20 -1.97 1.13 0.00 0.41 0.00 0.00 41.25 40.61 1c45 s ASN 46 CO 0.22 -0.51 1.99 0.00 -1.51 0.00 0.00 177.10 177.28 1c45 h ALA 47 N 7.64 2.13 -0.64 0.60 0.00 -1.96 0.02 119.26 127.06 1c45 h ALA 47 Ca -0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1c45 h ALA 47 Cb 1.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1c45 h ALA 47 CO 0.76 -0.27 0.14 0.78 0.00 0.00 0.00 179.25 180.66 1c45 h GLY 48 N 0.29 1.10 0.00 0.00 0.00 -1.95 -3.31 103.07 99.19 1c45 h GLY 48 Ca 0.26 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1c45 h GLY 48 CO -0.06 0.64 0.00 2.09 0.00 0.00 0.00 176.54 179.21 1c45 n ASP 49 N -4.24 1.62 -1.72 0.19 5.75 -0.99 -5.01 116.55 112.15 1c45 n ASP 49 Ca 0.05 -1.68 -0.17 0.00 -0.01 0.00 0.00 54.79 52.98 1c45 n ASP 49 Cb 0.26 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 1c45 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1c45 n ARG 50 N -0.34 -1.28 -3.79 0.11 1.74 -0.04 -4.81 116.66 108.25 1c45 n ARG 50 Ca 0.00 0.88 -0.22 0.00 -0.77 0.00 0.00 57.85 57.74 1c45 n ARG 50 Cb 0.19 -5.24 -0.04 0.00 -1.02 0.00 0.00 32.46 26.35 1c45 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1c45 s SER 51 N -2.41 4.93 0.00 0.55 1.04 -1.20 -4.42 113.70 112.20 1c45 s SER 51 Ca 0.00 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.68 1c45 s SER 51 Cb 0.00 -0.66 -0.01 0.00 0.10 0.00 0.00 66.02 65.46 1c45 s SER 51 CO 0.00 -0.52 -0.05 -0.89 0.98 0.00 0.00 173.24 172.76 1c45 s THR 52 N -2.46 0.35 -0.11 2.02 2.01 -1.26 -0.68 115.64 115.51 1c45 s THR 52 Ca 0.44 -0.34 -0.13 0.00 0.31 0.00 0.00 61.69 61.97 1c45 s THR 52 Cb -0.02 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 1c45 s THR 52 CO 0.26 -0.00 0.30 -1.81 -0.69 0.00 0.00 174.62 172.68 1c45 s ASP 53 N -0.37 6.53 -0.04 3.53 1.01 0.19 -1.20 116.67 126.33 1c45 s ASP 53 Ca -0.01 0.63 0.05 0.00 0.71 0.00 0.00 52.55 53.94 1c45 s ASP 53 Cb -0.03 -2.18 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 1c45 s ASP 53 CO -0.00 0.21 -0.20 -0.31 0.21 0.00 0.00 175.17 175.08 1c45 s TYR 54 N -0.18 1.91 0.00 4.23 2.02 0.62 -1.85 117.35 124.09 1c45 s TYR 54 Ca 0.18 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 1c45 s TYR 54 Cb -0.14 -1.26 0.00 0.00 -0.40 0.00 0.00 41.96 40.16 1c45 s TYR 54 CO 0.07 -0.13 0.00 0.41 -1.57 0.00 0.00 175.55 174.32 1c45 n GLY 55 N 2.91 -1.62 0.24 0.71 0.00 -0.29 -1.53 105.19 105.60 1c45 n GLY 55 Ca -0.17 -1.33 0.05 0.00 0.00 0.00 0.00 46.02 44.57 1c45 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1c45 h ILE 56 N 0.00 1.11 -0.25 -0.61 2.10 -1.67 -2.06 117.51 116.13 1c45 h ILE 56 Ca 0.00 -0.50 0.00 0.00 1.08 0.00 0.00 64.86 65.44 1c45 h ILE 56 Cb 0.00 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 1c45 h ILE 56 CO 0.00 0.15 0.00 0.49 -1.08 0.00 0.00 178.15 177.71 1c45 n PHE 57 N -4.37 0.31 -3.79 2.19 0.99 -1.26 -4.00 117.46 107.53 1c45 n PHE 57 Ca -0.02 -0.20 -0.36 0.00 -0.00 0.00 0.00 57.45 56.87 1c45 n PHE 57 Cb 0.21 -0.00 0.04 0.00 -1.00 0.00 0.00 39.48 38.72 1c45 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1c45 n GLN 58 N 1.09 -0.95 -2.83 -1.08 1.13 -0.78 -4.90 117.38 109.07 1c45 n GLN 58 Ca 0.14 0.35 -0.41 0.00 -1.94 0.00 0.00 57.00 55.14 1c45 n GLN 58 Cb 0.49 -3.67 -0.04 0.00 0.11 0.00 0.00 30.24 27.13 1c45 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1c45 s ILE 59 N -3.48 4.90 0.26 5.09 1.01 -0.58 -4.43 121.20 123.97 1c45 s ILE 59 Ca 0.48 1.85 -0.29 0.00 0.00 0.00 0.00 60.65 62.69 1c45 s ILE 59 Cb -0.20 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 37.95 1c45 s ILE 59 CO 0.89 0.20 0.98 0.21 0.00 0.00 0.00 174.94 177.23 1c45 s ASN 60 N 0.85 7.50 0.26 3.58 3.84 -1.26 -0.27 114.94 129.43 1c45 s ASN 60 Ca 0.47 2.02 0.25 0.00 0.21 0.00 0.00 52.86 55.80 1c45 s ASN 60 Cb -0.20 -2.61 0.92 0.00 -0.55 0.00 0.00 41.25 38.81 1c45 s ASN 60 CO 0.25 0.04 1.75 0.77 -2.79 0.00 0.00 177.10 177.12 1c45 h SER 61 N 3.91 0.00 -0.12 -4.21 4.64 -1.40 -2.73 113.55 113.62 1c45 h SER 61 Ca -0.46 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.78 1c45 h SER 61 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1c45 h SER 61 CO 0.67 0.00 -0.15 -0.09 -0.87 0.00 0.00 176.83 176.39 1c45 h ARG 62 N 0.00 0.50 0.00 4.77 2.43 -1.84 -3.39 114.38 116.85 1c45 h ARG 62 Ca 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1c45 h ARG 62 Cb 0.54 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1c45 h ARG 62 CO 0.00 0.65 -0.75 0.66 -1.51 0.00 0.00 179.97 179.01 1c45 n TYR 63 N -4.18 0.00 -0.10 2.20 4.02 -1.23 -0.19 117.16 117.68 1c45 n TYR 63 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 1c45 n TYR 63 Cb 0.34 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.55 1c45 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1c45 n TRP 64 N -1.35 0.00 -4.14 -0.72 7.02 -1.03 -0.56 117.44 116.65 1c45 n TRP 64 Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1c45 n TRP 64 Cb 0.17 -0.84 -0.10 0.00 -2.42 0.00 0.00 31.31 28.11 1c45 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1c45 s ASN 66 N -2.78 6.05 0.00 0.00 2.47 -0.40 -4.58 114.94 115.70 1c45 s ASN 66 Ca 0.07 0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.46 1c45 s ASN 66 Cb 0.03 -2.08 0.00 0.00 -1.45 0.00 0.00 41.25 37.75 1c45 s ASN 66 CO -0.05 0.08 0.83 -0.90 -3.72 0.00 0.00 177.10 173.35 1c45 n ASP 67 N 4.16 1.63 0.00 -4.21 5.68 -1.26 -1.19 116.55 121.36 1c45 n ASP 67 Ca -0.15 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 1c45 n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1c45 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c45 n GLY 68 N -0.33 0.64 0.07 6.12 0.00 -1.26 -4.74 105.19 105.68 1c45 n GLY 68 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1c45 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1c45 n LYS 69 N -2.00 1.73 -3.85 1.61 2.85 -1.26 -4.97 118.16 112.27 1c45 n LYS 69 Ca 0.00 -2.09 -0.36 0.00 -1.05 0.00 0.00 58.31 54.81 1c45 n LYS 69 Cb 0.00 -1.26 -0.13 0.00 -0.65 0.00 0.00 35.03 32.99 1c45 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1c45 s THR 70 N -2.04 3.53 0.22 0.58 2.01 -1.26 -4.92 115.64 113.76 1c45 s THR 70 Ca 0.19 -0.71 -0.32 0.00 0.31 0.00 0.00 61.69 61.16 1c45 s THR 70 Cb 0.17 -2.75 -0.13 0.00 0.01 0.00 0.00 72.50 69.79 1c45 s THR 70 CO 0.02 0.21 1.48 -2.65 -0.69 0.00 0.00 174.62 172.99 1c45 n PRO 71 N 4.80 2.17 -1.49 4.92 -0.02 -1.26 -2.60 135.00 141.50 1c45 n PRO 71 Ca -0.16 0.77 -0.14 0.00 -2.02 0.00 0.00 63.50 61.95 1c45 n PRO 71 Cb 0.49 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.43 1c45 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c45 n GLY 72 N 2.53 1.17 3.82 -1.23 0.00 -1.26 -4.94 105.19 105.29 1c45 n GLY 72 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1c45 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c45 s ALA 73 N -2.23 2.72 0.50 4.61 0.00 -1.07 -5.04 121.76 121.25 1c45 s ALA 73 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.09 1c45 s ALA 73 Cb 0.00 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1c45 s ALA 73 CO 0.00 -1.14 0.05 0.14 0.00 0.00 0.00 175.76 174.81 1c45 s VAL 74 N -2.99 1.31 -0.40 0.00 -7.23 0.73 -5.00 120.40 106.81 1c45 s VAL 74 Ca 0.58 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.89 1c45 s VAL 74 Cb -0.14 -2.25 0.23 0.00 0.56 0.00 0.00 36.38 34.78 1c45 s VAL 74 CO 0.53 0.00 0.48 -3.20 -0.31 0.00 0.00 175.10 172.60 1c45 n ASN 75 N -1.29 0.11 0.21 4.85 5.15 -1.24 -3.95 115.26 119.10 1c45 n ASN 75 Ca -0.16 -2.63 0.05 0.00 -0.60 0.00 0.00 54.58 51.24 1c45 n ASN 75 Cb 0.67 -0.62 0.50 0.00 -0.53 0.00 0.00 39.78 39.80 1c45 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c45 h ALA 76 N 4.43 1.72 -0.00 5.20 0.00 -0.83 -1.96 119.26 127.82 1c45 h ALA 76 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1c45 h ALA 76 Cb 0.88 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1c45 h ALA 76 CO 0.45 0.21 -0.16 0.00 0.00 0.00 0.00 179.25 179.75 1c45 n HIS 78 N -1.23 -1.93 -3.99 0.00 -0.00 -0.74 -4.95 115.22 102.38 1c45 n HIS 78 Ca 0.10 0.72 -0.09 0.00 -0.00 0.00 0.00 57.72 58.46 1c45 n HIS 78 Cb 0.31 -4.01 -0.10 0.00 -0.00 0.00 0.00 29.99 26.18 1c45 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1c45 s LEU 79 N -6.53 2.16 0.31 2.41 1.43 -1.26 -5.08 118.68 112.12 1c45 s LEU 79 Ca 0.18 -0.63 -0.27 0.00 -1.03 0.00 0.00 54.13 52.37 1c45 s LEU 79 Cb -0.05 0.29 -0.10 0.00 0.03 0.00 0.00 46.19 46.36 1c45 s LEU 79 CO 0.83 -0.44 0.97 -0.55 0.23 0.00 0.00 176.35 177.39 1c45 s SER 80 N -2.04 7.31 0.64 2.29 0.15 -1.26 -1.28 113.70 119.51 1c45 s SER 80 Ca -0.07 1.93 0.38 0.00 0.70 0.00 0.00 55.95 58.90 1c45 s SER 80 Cb -0.03 -2.59 2.18 0.00 -1.71 0.00 0.00 66.02 63.87 1c45 s SER 80 CO -0.04 -0.09 2.32 0.00 1.20 0.00 0.00 173.24 176.63 1c45 h SER 82 N 0.00 0.48 0.35 0.00 0.87 -1.90 -0.49 113.55 112.85 1c45 h SER 82 Ca 0.00 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1c45 h SER 82 Cb 0.02 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1c45 h SER 82 CO -0.00 0.32 -0.01 0.00 -0.53 0.00 0.00 176.83 176.61 1c45 h ALA 83 N 1.70 1.04 -0.24 6.23 0.00 -1.55 -0.64 119.26 125.80 1c45 h ALA 83 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1c45 h ALA 83 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1c45 h ALA 83 CO -0.06 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.48 1c45 n LEU 84 N -3.16 1.82 -0.29 0.00 4.77 -0.19 -3.70 117.00 116.25 1c45 n LEU 84 Ca -0.02 -0.82 0.03 0.00 -0.03 0.00 0.00 56.01 55.17 1c45 n LEU 84 Cb 0.16 -0.16 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1c45 n LEU 84 CO 0.23 0.41 0.56 0.18 -1.33 0.00 0.00 177.39 177.44 1c45 n LEU 85 N 0.44 2.43 -4.84 2.23 4.77 -0.25 -3.22 117.00 118.56 1c45 n LEU 85 Ca 0.15 -2.00 -0.32 0.00 -0.03 0.00 0.00 56.01 53.81 1c45 n LEU 85 Cb 0.33 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1c45 n LEU 85 CO 0.11 0.61 0.70 -1.10 -1.33 0.00 0.00 177.39 176.38 1c45 s GLN 86 N -1.00 3.74 0.19 3.23 -0.21 -1.24 -4.54 119.66 119.83 1c45 s GLN 86 Ca 0.11 0.93 -0.07 0.00 0.02 0.00 0.00 55.36 56.35 1c45 s GLN 86 Cb 0.06 -2.10 0.11 0.00 1.00 0.00 0.00 33.01 32.07 1c45 s GLN 86 CO 0.07 -0.44 1.58 -0.44 -2.12 0.00 0.00 175.29 173.94 1c45 h ASP 87 N 0.48 0.87 -3.14 5.90 5.19 -1.94 -3.41 116.42 120.38 1c45 h ASP 87 Ca -0.46 -0.34 -0.56 0.00 -0.62 0.00 0.00 57.03 55.06 1c45 h ASP 87 Cb 1.19 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.43 1c45 h ASP 87 CO 0.61 1.08 0.66 0.21 -3.12 0.00 0.00 179.24 178.68 1c45 s ASN 88 N -6.76 7.12 -0.04 6.45 3.84 -1.26 -4.84 114.94 119.44 1c45 s ASN 88 Ca -0.10 1.69 0.14 0.00 0.21 0.00 0.00 52.86 54.80 1c45 s ASN 88 Cb 0.12 -2.56 0.48 0.00 -0.55 0.00 0.00 41.25 38.75 1c45 s ASN 88 CO 0.85 -0.54 1.37 2.30 -2.79 0.00 0.00 177.10 178.29 1c45 n ILE 89 N 4.64 0.98 -0.13 -5.21 -5.35 -1.26 -4.50 119.36 108.52 1c45 n ILE 89 Ca 0.10 -0.75 -0.05 0.00 -0.27 0.00 0.00 62.75 61.79 1c45 n ILE 89 Cb 0.47 0.17 0.04 0.00 -1.74 0.00 0.00 39.64 38.58 1c45 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1c45 h ALA 90 N 3.80 0.51 -0.49 -1.28 0.00 -1.94 -0.38 119.26 119.48 1c45 h ALA 90 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1c45 h ALA 90 Cb 0.89 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1c45 h ALA 90 CO 0.08 -0.24 -0.07 -0.44 0.00 0.00 0.00 179.25 178.58 1c45 h ASP 91 N 0.31 0.87 -0.70 0.00 3.45 -1.86 -1.22 116.42 117.27 1c45 h ASP 91 Ca 0.20 -0.25 -0.05 0.00 0.43 0.00 0.00 57.03 57.36 1c45 h ASP 91 Cb 0.20 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.71 1c45 h ASP 91 CO -0.21 0.97 0.24 0.00 -1.57 0.00 0.00 179.24 178.66 1c45 h ALA 92 N 1.11 1.07 -0.45 3.45 0.00 -1.66 -1.25 119.26 121.54 1c45 h ALA 92 Ca 0.14 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1c45 h ALA 92 Cb 0.58 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1c45 h ALA 92 CO 0.04 0.64 -0.25 0.28 0.00 0.00 0.00 179.25 179.96 1c45 h VAL 93 N 1.06 1.27 -0.70 0.00 2.07 -0.78 0.94 116.25 120.10 1c45 h VAL 93 Ca 0.23 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 1c45 h VAL 93 Cb 0.27 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1c45 h VAL 93 CO -0.01 0.48 0.33 0.00 0.02 0.00 0.00 177.57 178.39 1c45 h ALA 94 N 0.91 0.91 -0.25 1.67 0.00 -0.93 -0.54 119.26 121.03 1c45 h ALA 94 Ca 0.10 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1c45 h ALA 94 Cb 0.82 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1c45 h ALA 94 CO 0.07 0.48 -0.24 0.00 0.00 0.00 0.00 179.25 179.56 1c45 h ALA 96 N 0.68 1.79 -0.38 0.00 0.00 -0.56 0.41 119.26 121.19 1c45 h ALA 96 Ca 0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1c45 h ALA 96 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1c45 h ALA 96 CO 0.06 0.18 -0.34 0.87 0.00 0.00 0.00 179.25 180.02 1c45 h LYS 97 N 0.46 0.90 -0.62 0.00 1.57 -0.99 -2.56 116.57 115.33 1c45 h LYS 97 Ca 0.14 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1c45 h LYS 97 Cb 0.02 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1c45 h LYS 97 CO -0.03 1.11 0.35 -0.09 -0.57 0.00 0.00 179.45 180.22 1c45 h ARG 98 N 0.72 0.85 -0.21 3.15 9.65 -0.54 -2.44 114.38 125.55 1c45 h ARG 98 Ca 0.07 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1c45 h ARG 98 Cb 0.92 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.31 1c45 h ARG 98 CO 0.09 0.63 0.05 0.28 2.80 0.00 0.00 179.97 183.82 1c45 h VAL 99 N 0.84 0.92 0.00 0.20 2.07 -0.87 -2.62 116.25 116.79 1c45 h VAL 99 Ca 0.22 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1c45 h VAL 99 Cb 0.01 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1c45 h VAL 99 CO -0.04 0.03 0.00 1.33 0.02 0.00 0.00 177.57 178.91 1c45 n VAL 100 N -5.07 0.83 0.34 2.57 0.24 -0.98 -2.12 118.33 114.15 1c45 n VAL 100 Ca -0.02 0.19 0.15 0.00 -2.04 0.00 0.00 64.34 62.61 1c45 n VAL 100 Cb 0.09 -0.98 0.55 0.00 -1.47 0.00 0.00 33.84 32.02 1c45 n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1c45 h ARG 101 N 0.00 0.00 -7.35 7.34 3.08 -1.04 -3.34 114.38 113.06 1c45 h ARG 101 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1c45 h ARG 101 Cb 0.34 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.52 1c45 h ARG 101 CO 0.00 0.00 0.30 -0.51 -1.07 0.00 0.00 179.97 178.69 1c45 s ASP 102 N -5.14 4.15 0.25 7.04 -0.00 -0.90 -4.93 116.67 117.14 1c45 s ASP 102 Ca 0.04 1.51 -0.13 0.00 -0.00 0.00 0.00 52.55 53.96 1c45 s ASP 102 Cb 0.09 -2.22 0.32 0.00 -0.00 0.00 0.00 42.92 41.11 1c45 s ASP 102 CO 0.51 -2.21 1.56 -0.65 -0.00 0.00 0.00 175.17 174.38 1c45 h PRO 103 N -1.25 -0.01 0.00 8.23 0.11 -1.87 -1.83 132.00 135.36 1c45 h PRO 103 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1c45 h PRO 103 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1c45 h PRO 103 CO 0.56 -0.01 -0.12 1.96 -0.21 0.00 0.00 178.00 180.17 1c45 h GLN 104 N -0.02 0.00 0.00 1.05 4.20 -1.91 -3.48 115.11 114.95 1c45 h GLN 104 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1c45 h GLN 104 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1c45 h GLN 104 CO -0.95 0.12 0.00 0.41 -0.67 0.00 0.00 178.83 177.74 1c45 n GLY 105 N -1.17 1.75 0.34 3.46 0.00 -0.69 -2.50 105.19 106.37 1c45 n GLY 105 Ca -0.03 -0.62 0.22 0.00 0.00 0.00 0.00 46.02 45.59 1c45 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1c45 h ILE 106 N 0.00 0.04 0.00 -0.61 6.09 -1.91 -1.82 117.51 119.30 1c45 h ILE 106 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1c45 h ILE 106 Cb 0.00 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.26 1c45 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1c45 n ARG 107 N -3.13 0.03 -0.17 2.19 1.74 -1.04 -3.09 116.66 113.20 1c45 n ARG 107 Ca -0.03 0.27 0.15 0.00 -0.77 0.00 0.00 57.85 57.47 1c45 n ARG 107 Cb 0.10 -1.50 0.50 0.00 -1.02 0.00 0.00 32.46 30.54 1c45 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1c45 h ALA 108 N 2.44 2.09 -2.34 7.54 0.00 -1.51 -3.38 119.26 124.10 1c45 h ALA 108 Ca 0.00 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1c45 h ALA 108 Cb 0.19 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 17.78 1c45 h ALA 108 CO 0.00 -0.29 0.15 -1.58 0.00 0.00 0.00 179.25 177.52 1c45 s TRP 109 N -5.42 3.16 0.28 0.00 0.51 -1.18 -4.95 118.94 111.34 1c45 s TRP 109 Ca -0.08 0.40 -0.02 0.00 -2.12 0.00 0.00 56.10 54.29 1c45 s TRP 109 Cb 0.21 -3.11 0.43 0.00 -0.81 0.00 0.00 33.47 30.19 1c45 s TRP 109 CO 0.77 -0.59 1.91 0.28 -0.51 0.00 0.00 176.95 178.80 1c45 h VAL 110 N 5.65 1.12 -0.56 4.03 2.07 -1.91 -0.99 116.25 125.66 1c45 h VAL 110 Ca -0.26 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1c45 h VAL 110 Cb 1.11 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1c45 h VAL 110 CO 0.83 0.21 0.37 0.00 0.02 0.00 0.00 177.57 179.00 1c45 h ALA 111 N 1.46 1.87 -0.46 1.67 0.00 -1.94 0.09 119.26 121.94 1c45 h ALA 111 Ca 0.40 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 1c45 h ALA 111 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1c45 h ALA 111 CO -0.14 0.04 0.09 2.35 0.00 0.00 0.00 179.25 181.58 1c45 h TRP 112 N 0.51 0.81 -0.48 0.00 7.01 -1.50 0.16 115.95 122.45 1c45 h TRP 112 Ca 0.24 -0.11 0.00 0.00 2.11 0.00 0.00 58.89 61.14 1c45 h TRP 112 Cb 0.30 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 1c45 h TRP 112 CO -0.00 0.75 0.31 0.00 -2.79 0.00 0.00 178.44 176.71 1c45 h ARG 113 N 0.63 0.64 -0.34 2.65 3.08 -0.89 0.52 114.38 120.68 1c45 h ARG 113 Ca 0.14 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 1c45 h ARG 113 Cb 0.37 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1c45 h ARG 113 CO 0.01 0.44 -0.11 -0.91 -1.07 0.00 0.00 179.97 178.33 1c45 h ASN 114 N 0.65 0.68 -0.00 7.04 2.35 -0.70 -3.35 115.58 122.24 1c45 h ASN 114 Ca 0.18 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1c45 h ASN 114 Cb -0.05 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.13 1c45 h ASN 114 CO -0.04 0.91 -0.10 0.54 -1.65 0.00 0.00 177.43 177.09 1c45 n ARG 115 N -4.39 1.96 0.00 0.81 5.12 0.53 -4.85 116.66 115.84 1c45 n ARG 115 Ca -0.02 -0.52 0.00 0.00 -1.93 0.00 0.00 57.85 55.37 1c45 n ARG 115 Cb 0.36 -0.97 0.00 0.00 -1.16 0.00 0.00 32.46 30.68 1c45 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1c45 n GLN 117 N -2.35 2.26 -2.24 0.00 7.27 -0.30 -1.89 117.38 120.14 1c45 n GLN 117 Ca 0.00 0.82 -0.19 0.00 0.07 0.00 0.00 57.00 57.70 1c45 n GLN 117 Cb 0.43 -2.62 -0.02 0.00 2.41 0.00 0.00 30.24 30.44 1c45 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1c45 n ASN 118 N 4.17 -5.34 -4.65 1.69 5.03 -1.26 -4.97 115.26 109.93 1c45 n ASN 118 Ca 0.18 0.12 -0.24 0.00 0.87 0.00 0.00 54.58 55.51 1c45 n ASN 118 Cb 0.30 -4.52 -0.08 0.00 -1.02 0.00 0.00 39.78 34.47 1c45 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1c45 s ARG 119 N -4.75 2.20 -0.72 3.52 1.81 -0.79 -5.07 118.95 115.16 1c45 s ARG 119 Ca 0.00 -1.59 -0.24 0.00 -1.72 0.00 0.00 55.73 52.18 1c45 s ARG 119 Cb 0.00 -2.06 0.06 0.00 -0.45 0.00 0.00 34.95 32.50 1c45 s ARG 119 CO 0.00 0.21 1.11 0.34 -0.68 0.00 0.00 175.30 176.28 1c45 s ASP 120 N -3.73 6.20 0.00 0.23 -1.08 -1.26 -4.87 116.67 112.16 1c45 s ASP 120 Ca 0.34 -0.85 0.22 0.00 -0.52 0.00 0.00 52.55 51.75 1c45 s ASP 120 Cb -0.03 -2.48 0.59 0.00 -1.46 0.00 0.00 42.92 39.55 1c45 s ASP 120 CO 0.20 -1.58 1.50 1.33 0.52 0.00 0.00 175.17 177.14 1c45 n VAL 121 N 6.12 0.86 -0.26 1.11 0.24 -1.26 -4.51 118.33 120.64 1c45 n VAL 121 Ca 0.02 -0.91 0.06 0.00 -2.04 0.00 0.00 64.34 61.46 1c45 n VAL 121 Cb 0.47 0.58 0.30 0.00 -1.47 0.00 0.00 33.84 33.72 1c45 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1c45 h ARG 122 N 4.24 0.86 -0.19 7.34 3.08 -1.93 -2.08 114.38 125.70 1c45 h ARG 122 Ca 0.00 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.05 1c45 h ARG 122 Cb 0.96 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1c45 h ARG 122 CO 0.00 0.57 0.39 -0.56 -1.07 0.00 0.00 179.97 179.30 1c45 h GLN 123 N 0.89 0.00 0.00 0.04 3.07 -1.98 -2.01 115.11 115.12 1c45 h GLN 123 Ca 0.38 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.99 1c45 h GLN 123 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.84 1c45 h GLN 123 CO -0.14 0.00 -0.61 1.88 0.09 0.00 0.00 178.83 180.04 1c45 h TYR 124 N 0.00 0.00 -0.02 0.06 0.05 -1.72 -3.32 116.97 112.02 1c45 h TYR 124 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1c45 h TYR 124 Cb 0.86 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.60 1c45 h TYR 124 CO 0.00 0.61 0.00 1.33 -1.05 0.00 0.00 178.16 179.05 1c45 n VAL 125 N -3.69 0.05 -1.96 -2.88 0.24 -0.78 -4.78 118.33 104.53 1c45 n VAL 125 Ca -0.01 -0.52 -0.42 0.00 -2.04 0.00 0.00 64.34 61.35 1c45 n VAL 125 Cb 0.64 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 34.11 1c45 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1c45 s GLN 126 N -0.67 4.23 0.00 7.34 -1.52 -1.08 -2.25 119.66 125.71 1c45 s GLN 126 Ca 0.10 2.34 0.00 0.00 -1.95 0.00 0.00 55.36 55.84 1c45 s GLN 126 Cb 0.07 -3.14 0.00 0.00 -0.22 0.00 0.00 33.01 29.71 1c45 s GLN 126 CO 0.10 -0.55 0.00 0.41 -0.25 0.00 0.00 175.29 175.00 1c45 n GLY 127 N 3.25 1.00 0.26 3.09 0.00 -1.26 -4.92 105.19 106.60 1c45 n GLY 127 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1c45 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c45 n GLY 129 N 1.34 0.05 0.29 0.00 0.00 -1.26 -4.79 105.19 100.81 1c45 n GLY 129 Ca 0.12 -0.51 0.04 0.00 0.00 0.00 0.00 46.02 45.67 1c45 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65