#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ip5 s VAL 2 N 0.00 3.52 0.58 3.15 1.01 -1.26 -1.04 120.40 126.36 1ip5 s VAL 2 Ca 0.00 -1.56 -0.18 0.00 0.00 0.00 0.00 61.98 60.24 1ip5 s VAL 2 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1ip5 s VAL 2 CO 0.00 -0.40 1.14 -0.36 0.00 0.00 0.00 175.10 175.48 1ip5 s PHE 3 N 1.28 2.58 0.29 5.22 0.08 -0.39 -5.00 117.98 122.05 1ip5 s PHE 3 Ca 0.02 1.54 -0.09 0.00 0.12 0.00 0.00 56.93 58.51 1ip5 s PHE 3 Cb -0.21 -3.31 -0.07 0.00 -0.57 0.00 0.00 43.02 38.85 1ip5 s PHE 3 CO -0.01 -1.76 0.62 -1.21 -0.10 0.00 0.00 175.22 172.77 1ip5 s GLU 4 N -3.46 3.79 0.02 0.44 2.02 -1.26 -4.85 118.70 115.40 1ip5 s GLU 4 Ca 0.73 0.31 -0.04 0.00 0.02 0.00 0.00 54.97 55.99 1ip5 s GLU 4 Cb -0.25 -2.56 -0.01 0.00 0.10 0.00 0.00 34.13 31.41 1ip5 s GLU 4 CO 0.31 0.20 1.07 -0.09 0.02 0.00 0.00 175.26 176.77 1ip5 h ARG 5 N 2.05 -0.02 -0.00 1.61 2.43 -1.96 -1.57 114.38 116.91 1ip5 h ARG 5 Ca -0.47 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 1ip5 h ARG 5 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1ip5 h ARG 5 CO 0.67 -0.01 -0.21 0.00 -1.51 0.00 0.00 179.97 178.91 1ip5 h GLU 7 N 0.01 0.78 -0.26 0.00 4.81 -1.87 -1.68 114.58 116.37 1ip5 h GLU 7 Ca -0.00 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 1ip5 h GLU 7 Cb 0.37 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ip5 h GLU 7 CO 0.03 0.51 -0.26 1.25 -0.73 0.00 0.00 179.01 179.81 1ip5 h LEU 8 N 0.80 0.68 -0.51 1.64 5.85 -0.53 -1.86 115.31 121.40 1ip5 h LEU 8 Ca 0.23 -0.47 0.08 0.00 0.84 0.00 0.00 57.88 58.55 1ip5 h LEU 8 Cb -0.07 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 1ip5 h LEU 8 CO -0.06 1.01 0.16 0.00 -0.34 0.00 0.00 178.44 179.21 1ip5 h ALA 9 N 0.69 0.61 -0.18 1.25 0.00 -0.88 0.19 119.26 120.94 1ip5 h ALA 9 Ca 0.04 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1ip5 h ALA 9 Cb 0.82 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ip5 h ALA 9 CO 0.06 -0.25 -0.39 0.00 0.00 0.00 0.00 179.25 178.68 1ip5 h ARG 10 N 0.32 0.40 -0.39 0.00 3.08 -1.31 -1.22 114.38 115.26 1ip5 h ARG 10 Ca 0.25 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1ip5 h ARG 10 Cb 0.29 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1ip5 h ARG 10 CO -0.27 0.73 0.12 1.15 -1.07 0.00 0.00 179.97 180.63 1ip5 h THR 11 N 0.34 1.21 -0.51 2.04 2.02 -0.40 -0.96 112.91 116.65 1ip5 h THR 11 Ca 0.03 -0.70 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 1ip5 h THR 11 Cb 0.83 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1ip5 h THR 11 CO 0.07 0.25 0.02 -0.07 0.37 0.00 0.00 175.52 176.15 1ip5 h LEU 12 N 0.48 0.87 -0.25 2.58 3.38 -0.51 -2.44 115.31 119.43 1ip5 h LEU 12 Ca 0.13 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1ip5 h LEU 12 Cb 0.26 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1ip5 h LEU 12 CO -0.00 0.96 0.13 0.50 0.09 0.00 0.00 178.44 180.11 1ip5 h LYS 13 N 0.76 0.26 -0.41 1.13 3.64 -1.02 -1.25 116.57 119.70 1ip5 h LYS 13 Ca 0.15 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1ip5 h LYS 13 Cb 0.50 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1ip5 h LYS 13 CO 0.02 0.18 0.28 -0.09 -2.27 0.00 0.00 179.45 177.57 1ip5 h ARG 14 N 0.27 0.26 -0.04 1.90 2.43 -1.04 -1.22 114.38 116.94 1ip5 h ARG 14 Ca 0.10 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1ip5 h ARG 14 Cb 0.02 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1ip5 h ARG 14 CO -0.06 0.17 0.00 1.28 -1.51 0.00 0.00 179.97 179.85 1ip5 n LEU 15 N -4.47 0.46 0.00 3.80 4.77 -0.51 -4.90 117.00 116.15 1ip5 n LEU 15 Ca 0.05 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1ip5 n LEU 15 Cb 0.29 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1ip5 n LEU 15 CO 0.35 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1ip5 n GLY 16 N 0.90 0.54 0.14 -0.72 0.00 -0.46 -4.99 105.19 100.60 1ip5 n GLY 16 Ca 0.15 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.43 1ip5 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ip5 h MET 17 N 0.00 0.00 -5.95 1.61 2.86 -1.62 -3.40 114.93 108.43 1ip5 h MET 17 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 1ip5 h MET 17 Cb 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1ip5 h MET 17 CO 0.00 0.00 1.43 0.34 1.06 0.00 0.00 176.91 179.74 1ip5 s ASP 18 N -5.55 5.20 0.00 1.22 -1.08 -1.26 -1.77 116.67 113.43 1ip5 s ASP 18 Ca 0.02 0.93 0.00 0.00 -0.52 0.00 0.00 52.55 52.98 1ip5 s ASP 18 Cb 0.08 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1ip5 s ASP 18 CO 0.75 -2.32 0.00 0.61 0.52 0.00 0.00 175.17 174.73 1ip5 n GLY 19 N 5.72 0.55 3.67 2.66 0.00 -0.08 -4.90 105.19 112.81 1ip5 n GLY 19 Ca 0.26 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1ip5 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ip5 s TYR 20 N -2.00 1.44 -1.57 1.61 5.04 -0.73 -0.96 117.35 120.19 1ip5 s TYR 20 Ca 0.00 -0.38 -0.14 0.00 -2.44 0.00 0.00 57.07 54.11 1ip5 s TYR 20 Cb 0.00 -4.23 0.10 0.00 0.35 0.00 0.00 41.96 38.18 1ip5 s TYR 20 CO 0.00 -5.44 0.90 0.54 -1.34 0.00 0.00 175.55 170.20 1ip5 n ARG 21 N 7.19 -4.75 -0.98 4.97 5.12 -1.26 -0.88 116.66 126.06 1ip5 n ARG 21 Ca 0.19 0.53 0.00 0.00 -1.93 0.00 0.00 57.85 56.64 1ip5 n ARG 21 Cb 0.41 -5.33 0.00 0.00 -1.16 0.00 0.00 32.46 26.38 1ip5 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ip5 n GLY 22 N -1.62 0.42 3.54 -0.13 0.00 -0.13 -5.00 105.19 102.27 1ip5 n GLY 22 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1ip5 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ip5 s ILE 23 N -1.95 5.12 0.70 -0.61 1.01 -0.06 -4.91 121.20 120.50 1ip5 s ILE 23 Ca 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.56 1ip5 s ILE 23 Cb 0.00 -3.88 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1ip5 s ILE 23 CO 0.00 -0.16 1.17 -0.94 0.00 0.00 0.00 174.94 175.01 1ip5 s SER 24 N 1.75 4.59 0.26 3.58 1.04 -1.26 -0.90 113.70 122.76 1ip5 s SER 24 Ca 0.13 2.22 -0.02 0.00 0.48 0.00 0.00 55.95 58.77 1ip5 s SER 24 Cb -0.16 -2.58 0.45 0.00 0.10 0.00 0.00 66.02 63.83 1ip5 s SER 24 CO 0.12 -1.99 1.84 0.25 0.98 0.00 0.00 173.24 174.44 1ip5 h LEU 25 N -0.11 0.89 -1.31 2.42 5.85 -1.91 -1.22 115.31 119.92 1ip5 h LEU 25 Ca -0.47 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.34 1ip5 h LEU 25 Cb 1.28 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 1ip5 h LEU 25 CO 0.52 0.52 0.51 0.00 -0.34 0.00 0.00 178.44 179.64 1ip5 h ALA 26 N 1.48 1.63 -0.53 1.25 0.00 -1.91 -0.54 119.26 120.64 1ip5 h ALA 26 Ca 0.44 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 1ip5 h ALA 26 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ip5 h ALA 26 CO -0.23 0.26 -0.10 -0.91 0.00 0.00 0.00 179.25 178.28 1ip5 h ASN 27 N 0.85 1.00 -0.27 0.00 2.35 -1.55 -1.06 115.58 116.90 1ip5 h ASN 27 Ca 0.33 -0.35 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1ip5 h ASN 27 Cb 0.20 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1ip5 h ASN 27 CO -0.11 1.11 -0.13 -0.50 -1.65 0.00 0.00 177.43 176.15 1ip5 h TRP 28 N 0.87 0.76 -0.41 1.19 4.06 -0.99 -1.16 115.95 120.27 1ip5 h TRP 28 Ca 0.14 -0.14 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 1ip5 h TRP 28 Cb 0.66 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.61 1ip5 h TRP 28 CO 0.05 0.79 -0.05 0.52 -3.56 0.00 0.00 178.44 176.19 1ip5 h MET 29 N 0.63 0.75 -0.88 0.49 2.86 -0.99 -0.94 114.93 116.85 1ip5 h MET 29 Ca 0.11 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1ip5 h MET 29 Cb 0.59 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.15 1ip5 h MET 29 CO 0.04 0.86 0.47 0.00 1.06 0.00 0.00 176.91 179.34 1ip5 h LEU 31 N 1.24 -0.27 -1.09 0.00 5.85 -0.85 -1.78 115.31 118.41 1ip5 h LEU 31 Ca 0.31 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1ip5 h LEU 31 Cb 0.05 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1ip5 h LEU 31 CO -0.05 -0.11 0.43 0.00 -0.34 0.00 0.00 178.44 178.38 1ip5 h ALA 32 N 0.32 1.31 0.56 1.25 0.00 -0.97 0.02 119.26 121.75 1ip5 h ALA 32 Ca -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ip5 h ALA 32 Cb 0.32 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ip5 h ALA 32 CO 0.05 0.57 -0.27 -0.22 0.00 0.00 0.00 179.25 179.38 1ip5 h LYS 33 N 1.07 -0.73 0.00 0.00 1.63 -0.96 -1.48 116.57 116.11 1ip5 h LYS 33 Ca 0.27 0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 60.02 1ip5 h LYS 33 Cb 0.01 0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1ip5 h LYS 33 CO -0.05 -0.48 -0.47 -1.49 -3.45 0.00 0.00 179.45 173.51 1ip5 h TRP 34 N -0.75 0.00 0.02 1.91 4.06 -1.19 -0.81 115.95 119.19 1ip5 h TRP 34 Ca -0.08 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.69 1ip5 h TRP 34 Cb 0.58 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.75 1ip5 h TRP 34 CO -0.04 0.47 -0.72 0.93 -3.56 0.00 0.00 178.44 175.53 1ip5 h GLU 35 N 0.00 0.46 0.00 0.49 4.39 -0.92 -3.42 114.58 115.57 1ip5 h GLU 35 Ca -0.00 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1ip5 h GLU 35 Cb 1.06 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1ip5 h GLU 35 CO 0.06 1.16 0.00 -1.13 -1.16 0.00 0.00 179.01 177.94 1ip5 n SER 36 N -4.14 0.00 -1.58 1.42 3.41 -0.60 -4.83 113.62 107.31 1ip5 n SER 36 Ca -0.11 -0.97 -0.12 0.00 -0.26 0.00 0.00 58.87 57.41 1ip5 n SER 36 Cb 0.73 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.69 1ip5 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ip5 n GLY 37 N 0.00 -0.05 2.53 5.00 0.00 -0.31 -2.49 105.19 109.87 1ip5 n GLY 37 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 1ip5 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ip5 n TYR 38 N -3.98 -1.17 -3.71 1.61 0.53 -1.14 -4.77 117.16 104.54 1ip5 n TYR 38 Ca -0.10 0.20 -0.38 0.00 -1.02 0.00 0.00 57.90 56.60 1ip5 n TYR 38 Cb 0.59 -3.60 -0.12 0.00 -1.03 0.00 0.00 39.34 35.17 1ip5 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1ip5 s ASN 39 N -2.49 5.34 0.54 7.72 2.47 -1.04 -1.26 114.94 126.23 1ip5 s ASN 39 Ca 0.11 -0.86 0.34 0.00 0.42 0.00 0.00 52.86 52.88 1ip5 s ASN 39 Cb -0.05 -1.92 1.49 0.00 -1.45 0.00 0.00 41.25 39.32 1ip5 s ASN 39 CO 0.14 -0.27 2.01 0.71 -3.72 0.00 0.00 177.10 175.98 1ip5 h THR 40 N 5.93 0.00 -0.47 -5.21 1.35 -1.40 -2.97 112.91 110.14 1ip5 h THR 40 Ca -0.28 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1ip5 h THR 40 Cb 1.11 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1ip5 h THR 40 CO 0.62 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.78 1ip5 n ARG 41 N -3.00 2.53 -2.02 4.72 1.85 -1.26 -4.10 116.66 115.37 1ip5 n ARG 41 Ca 0.00 -2.34 -0.41 0.00 -1.00 0.00 0.00 57.85 54.10 1ip5 n ARG 41 Cb 0.26 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.15 1ip5 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ip5 s ALA 42 N -1.31 3.52 0.00 2.89 0.00 -1.13 -4.80 121.76 120.95 1ip5 s ALA 42 Ca 0.40 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.68 1ip5 s ALA 42 Cb 0.22 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1ip5 s ALA 42 CO 0.31 -0.77 0.05 0.95 0.00 0.00 0.00 175.76 176.30 1ip5 s THR 43 N -1.10 0.08 -0.10 0.00 -4.23 -1.26 -0.85 115.64 108.18 1ip5 s THR 43 Ca 0.50 -0.66 -0.03 0.00 -1.18 0.00 0.00 61.69 60.32 1ip5 s THR 43 Cb -0.42 -0.30 0.05 0.00 1.34 0.00 0.00 72.50 73.17 1ip5 s THR 43 CO 0.56 -0.36 0.09 0.21 -0.54 0.00 0.00 174.62 174.58 1ip5 s ASN 44 N -1.15 1.57 0.14 3.99 2.47 -0.73 -4.96 114.94 116.27 1ip5 s ASN 44 Ca -0.12 -0.17 -0.25 0.00 0.42 0.00 0.00 52.86 52.73 1ip5 s ASN 44 Cb -0.07 -0.11 -0.07 0.00 -1.45 0.00 0.00 41.25 39.54 1ip5 s ASN 44 CO 0.00 -0.29 0.78 -0.47 -3.72 0.00 0.00 177.10 173.40 1ip5 s TYR 45 N 2.18 3.88 -0.54 0.43 6.04 -1.26 -1.00 117.35 127.07 1ip5 s TYR 45 Ca 0.04 1.61 -0.04 0.00 0.04 0.00 0.00 57.07 58.73 1ip5 s TYR 45 Cb -0.14 -2.79 0.14 0.00 -1.04 0.00 0.00 41.96 38.13 1ip5 s TYR 45 CO -0.06 0.46 0.35 -0.80 -1.54 0.00 0.00 175.55 173.96 1ip5 s ASN 46 N -0.91 5.31 0.53 4.32 0.01 -0.33 -4.95 114.94 118.93 1ip5 s ASN 46 Ca 0.37 -2.49 0.21 0.00 -0.71 0.00 0.00 52.86 50.24 1ip5 s ASN 46 Cb -0.23 -1.86 1.36 0.00 0.41 0.00 0.00 41.25 40.93 1ip5 s ASN 46 CO 0.26 -0.46 2.08 0.00 -1.51 0.00 0.00 177.10 177.47 1ip5 h ALA 47 N 7.52 2.21 -0.83 0.60 0.00 -1.96 -0.32 119.26 126.49 1ip5 h ALA 47 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ip5 h ALA 47 Cb 1.00 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1ip5 h ALA 47 CO 0.72 -0.32 0.47 0.78 0.00 0.00 0.00 179.25 180.90 1ip5 h GLY 48 N 0.00 1.23 -0.04 0.00 0.00 -1.95 -3.28 103.07 99.03 1ip5 h GLY 48 Ca 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1ip5 h GLY 48 CO -0.00 0.52 -0.02 2.09 0.00 0.00 0.00 176.54 179.13 1ip5 n ASP 49 N -4.41 1.66 -0.91 0.19 5.75 -1.03 -5.01 116.55 112.79 1ip5 n ASP 49 Ca 0.08 -2.02 -0.12 0.00 -0.01 0.00 0.00 54.79 52.73 1ip5 n ASP 49 Cb 0.08 -0.08 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 1ip5 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ip5 n ARG 50 N -0.55 -1.20 -3.07 0.11 1.74 -0.16 -4.84 116.66 108.69 1ip5 n ARG 50 Ca 0.03 0.89 -0.18 0.00 -0.77 0.00 0.00 57.85 57.82 1ip5 n ARG 50 Cb 0.37 -5.05 0.01 0.00 -1.02 0.00 0.00 32.46 26.77 1ip5 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ip5 s SER 51 N -2.63 5.57 0.01 0.55 1.04 -1.21 -4.52 113.70 112.51 1ip5 s SER 51 Ca 0.00 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 55.97 1ip5 s SER 51 Cb 0.00 -0.61 -0.01 0.00 0.10 0.00 0.00 66.02 65.50 1ip5 s SER 51 CO 0.00 -0.77 -0.03 -0.89 0.98 0.00 0.00 173.24 172.53 1ip5 s THR 52 N -2.38 0.25 -0.16 2.02 2.01 -1.26 -1.19 115.64 114.93 1ip5 s THR 52 Ca 0.54 -0.37 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 1ip5 s THR 52 Cb -0.09 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 1ip5 s THR 52 CO 0.33 -0.09 0.22 -1.81 -0.69 0.00 0.00 174.62 172.58 1ip5 s ASP 53 N -0.49 6.36 -0.03 3.53 1.01 -0.17 -1.05 116.67 125.82 1ip5 s ASP 53 Ca -0.03 0.42 0.07 0.00 0.71 0.00 0.00 52.55 53.72 1ip5 s ASP 53 Cb -0.04 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 1ip5 s ASP 53 CO -0.00 0.17 -0.25 -0.31 0.21 0.00 0.00 175.17 174.99 1ip5 s TYR 54 N 0.20 2.36 0.00 4.23 2.02 0.36 -1.77 117.35 124.74 1ip5 s TYR 54 Ca 0.13 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 1ip5 s TYR 54 Cb -0.12 -1.53 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 1ip5 s TYR 54 CO 0.02 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.30 1ip5 n GLY 55 N 2.64 -0.97 0.28 0.71 0.00 -0.03 -1.89 105.19 105.94 1ip5 n GLY 55 Ca -0.17 -1.18 0.07 0.00 0.00 0.00 0.00 46.02 44.74 1ip5 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ip5 h ILE 56 N 0.00 1.02 -0.24 -0.61 2.10 -1.69 -1.15 117.51 116.94 1ip5 h ILE 56 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 1ip5 h ILE 56 Cb 0.00 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.55 1ip5 h ILE 56 CO 0.00 0.03 0.00 0.49 -1.08 0.00 0.00 178.15 177.59 1ip5 n PHE 57 N -4.51 0.31 -3.82 2.19 3.01 -1.26 -4.04 117.46 109.33 1ip5 n PHE 57 Ca -0.00 -0.20 -0.34 0.00 1.01 0.00 0.00 57.45 57.91 1ip5 n PHE 57 Cb 0.11 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 39.60 1ip5 n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1ip5 n GLN 58 N 1.06 -1.34 -2.71 -1.08 1.13 -0.44 -4.92 117.38 109.09 1ip5 n GLN 58 Ca 0.14 0.36 -0.42 0.00 -1.94 0.00 0.00 57.00 55.14 1ip5 n GLN 58 Cb 0.48 -3.84 -0.03 0.00 0.11 0.00 0.00 30.24 26.96 1ip5 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ip5 s ILE 59 N -3.57 4.83 0.20 5.09 1.01 -0.79 -4.42 121.20 123.54 1ip5 s ILE 59 Ca 0.40 2.06 -0.30 0.00 0.00 0.00 0.00 60.65 62.81 1ip5 s ILE 59 Cb -0.16 -4.32 -0.08 0.00 0.01 0.00 0.00 42.46 37.91 1ip5 s ILE 59 CO 0.89 0.18 0.99 0.21 0.00 0.00 0.00 174.94 177.21 1ip5 s ASN 60 N 0.90 7.50 0.33 3.58 3.84 -1.26 -0.49 114.94 129.34 1ip5 s ASN 60 Ca 0.51 1.97 0.26 0.00 0.21 0.00 0.00 52.86 55.81 1ip5 s ASN 60 Cb -0.21 -2.60 1.04 0.00 -0.55 0.00 0.00 41.25 38.92 1ip5 s ASN 60 CO 0.28 -0.01 1.78 0.77 -2.79 0.00 0.00 177.10 177.14 1ip5 h SER 61 N 4.69 0.00 -0.41 -4.21 4.64 -1.34 -2.40 113.55 114.53 1ip5 h SER 61 Ca -0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.79 1ip5 h SER 61 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1ip5 h SER 61 CO 0.70 0.00 -0.03 -0.09 -0.87 0.00 0.00 176.83 176.54 1ip5 h ARG 62 N 0.00 0.82 0.00 4.77 2.43 -1.84 -3.39 114.38 117.17 1ip5 h ARG 62 Ca 0.00 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1ip5 h ARG 62 Cb 0.46 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1ip5 h ARG 62 CO 0.00 0.84 -0.82 0.66 -1.51 0.00 0.00 179.97 179.14 1ip5 n TYR 63 N -4.20 0.00 -0.09 2.20 4.02 -1.22 -0.27 117.16 117.61 1ip5 n TYR 63 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.81 1ip5 n TYR 63 Cb 0.32 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.53 1ip5 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1ip5 n TRP 64 N -1.34 0.00 -4.11 -0.72 7.02 -0.91 -1.13 117.44 116.25 1ip5 n TRP 64 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1ip5 n TRP 64 Cb 0.09 -0.78 -0.10 0.00 -2.42 0.00 0.00 31.31 28.10 1ip5 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ip5 s ASN 66 N -2.83 6.08 0.00 0.00 2.47 -0.43 -4.57 114.94 115.66 1ip5 s ASN 66 Ca 0.07 0.06 0.01 0.00 0.42 0.00 0.00 52.86 53.42 1ip5 s ASN 66 Cb 0.05 -2.11 0.02 0.00 -1.45 0.00 0.00 41.25 37.76 1ip5 s ASN 66 CO -0.07 0.01 0.76 -0.90 -3.72 0.00 0.00 177.10 173.19 1ip5 n ASP 67 N 4.62 1.56 0.00 -4.21 5.75 -1.26 -1.04 116.55 121.98 1ip5 n ASP 67 Ca -0.15 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 1ip5 n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1ip5 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ip5 n GLY 68 N -0.12 0.24 0.11 6.12 0.00 -1.26 -4.76 105.19 105.51 1ip5 n GLY 68 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1ip5 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ip5 n LYS 69 N -2.00 1.40 -3.85 1.61 2.85 -1.26 -4.98 118.16 111.93 1ip5 n LYS 69 Ca 0.00 -2.09 -0.36 0.00 -1.05 0.00 0.00 58.31 54.81 1ip5 n LYS 69 Cb 0.00 -1.24 -0.13 0.00 -0.65 0.00 0.00 35.03 33.01 1ip5 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ip5 s THR 70 N -2.05 3.35 -0.00 0.58 2.01 -1.26 -4.92 115.64 113.35 1ip5 s THR 70 Ca 0.21 -1.11 -0.38 0.00 0.31 0.00 0.00 61.69 60.71 1ip5 s THR 70 Cb 0.18 -2.84 -0.18 0.00 0.01 0.00 0.00 72.50 69.68 1ip5 s THR 70 CO 0.02 -0.03 1.33 -2.65 -0.69 0.00 0.00 174.62 172.60 1ip5 n PRO 71 N 4.73 0.80 -2.14 4.92 -0.02 -1.26 -1.76 135.00 140.27 1ip5 n PRO 71 Ca -0.14 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.53 1ip5 n PRO 71 Cb 0.45 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.03 1ip5 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ip5 n GLY 72 N 2.51 -0.12 3.84 -1.23 0.00 -1.26 -4.92 105.19 104.01 1ip5 n GLY 72 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1ip5 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ip5 s ALA 73 N -2.30 2.89 0.53 4.61 0.00 -0.72 -5.04 121.76 121.73 1ip5 s ALA 73 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.07 1ip5 s ALA 73 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1ip5 s ALA 73 CO 0.00 -0.82 0.08 0.14 0.00 0.00 0.00 175.76 175.16 1ip5 s VAL 74 N -2.91 1.16 -0.40 0.00 -7.23 0.63 -5.00 120.40 106.65 1ip5 s VAL 74 Ca 0.58 -1.90 0.06 0.00 -1.81 0.00 0.00 61.98 58.91 1ip5 s VAL 74 Cb -0.13 -2.07 0.21 0.00 0.56 0.00 0.00 36.38 34.96 1ip5 s VAL 74 CO 0.47 0.00 0.44 -3.20 -0.31 0.00 0.00 175.10 172.50 1ip5 n ASN 75 N -1.39 -0.22 0.21 4.85 5.15 -1.24 -3.91 115.26 118.71 1ip5 n ASN 75 Ca -0.17 -2.54 0.04 0.00 -0.60 0.00 0.00 54.58 51.31 1ip5 n ASN 75 Cb 0.66 -0.55 0.44 0.00 -0.53 0.00 0.00 39.78 39.80 1ip5 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ip5 h ALA 76 N 4.80 1.55 -0.00 5.20 0.00 -1.09 -1.70 119.26 128.02 1ip5 h ALA 76 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ip5 h ALA 76 Cb 0.90 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ip5 h ALA 76 CO 0.41 0.33 -0.21 0.00 0.00 0.00 0.00 179.25 179.79 1ip5 n HIS 78 N -1.00 -1.88 -3.96 0.00 -0.00 -0.64 -4.95 115.22 102.80 1ip5 n HIS 78 Ca 0.12 0.43 -0.09 0.00 -0.00 0.00 0.00 57.72 58.17 1ip5 n HIS 78 Cb 0.31 -3.40 -0.09 0.00 -0.00 0.00 0.00 29.99 26.81 1ip5 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ip5 s LEU 79 N -6.53 1.94 0.32 2.41 1.43 -1.26 -5.07 118.68 111.91 1ip5 s LEU 79 Ca 0.48 -0.62 -0.27 0.00 -1.03 0.00 0.00 54.13 52.69 1ip5 s LEU 79 Cb -0.18 0.51 -0.09 0.00 0.03 0.00 0.00 46.19 46.46 1ip5 s LEU 79 CO 0.87 -0.52 0.99 -0.55 0.23 0.00 0.00 176.35 177.37 1ip5 s SER 80 N -2.25 7.26 0.62 2.29 0.15 -1.26 -1.31 113.70 119.20 1ip5 s SER 80 Ca -0.03 1.98 0.35 0.00 0.70 0.00 0.00 55.95 58.95 1ip5 s SER 80 Cb 0.00 -2.60 2.03 0.00 -1.71 0.00 0.00 66.02 63.74 1ip5 s SER 80 CO -0.06 -0.13 2.29 0.00 1.20 0.00 0.00 173.24 176.54 1ip5 h SER 82 N 0.00 0.41 0.16 0.00 0.87 -1.90 -0.19 113.55 112.90 1ip5 h SER 82 Ca 0.00 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ip5 h SER 82 Cb 0.04 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1ip5 h SER 82 CO -0.00 0.28 -0.01 0.00 -0.53 0.00 0.00 176.83 176.57 1ip5 h ALA 83 N 1.74 1.14 -0.19 6.23 0.00 -1.45 -0.55 119.26 126.18 1ip5 h ALA 83 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ip5 h ALA 83 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ip5 h ALA 83 CO -0.05 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1ip5 n LEU 84 N -3.31 1.53 -0.44 0.00 4.77 -0.08 -3.63 117.00 115.84 1ip5 n LEU 84 Ca -0.02 -0.67 0.05 0.00 -0.03 0.00 0.00 56.01 55.33 1ip5 n LEU 84 Cb 0.12 -0.12 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1ip5 n LEU 84 CO 0.24 0.34 0.60 0.18 -1.33 0.00 0.00 177.39 177.41 1ip5 n LEU 85 N 0.25 2.75 -4.84 2.23 4.77 -0.22 -3.24 117.00 118.70 1ip5 n LEU 85 Ca 0.15 -2.24 -0.32 0.00 -0.03 0.00 0.00 56.01 53.57 1ip5 n LEU 85 Cb 0.29 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1ip5 n LEU 85 CO 0.11 0.65 0.68 -1.10 -1.33 0.00 0.00 177.39 176.40 1ip5 s GLN 86 N -1.42 3.98 0.22 3.23 -0.21 -1.24 -4.56 119.66 119.67 1ip5 s GLN 86 Ca 0.20 0.99 -0.05 0.00 0.02 0.00 0.00 55.36 56.52 1ip5 s GLN 86 Cb 0.13 -2.14 0.20 0.00 1.00 0.00 0.00 33.01 32.20 1ip5 s GLN 86 CO 0.09 -0.24 1.66 -0.44 -2.12 0.00 0.00 175.29 174.24 1ip5 h ASP 87 N 1.09 0.83 -3.09 5.90 5.19 -1.94 -3.40 116.42 121.01 1ip5 h ASP 87 Ca -0.47 -0.27 -0.58 0.00 -0.62 0.00 0.00 57.03 55.10 1ip5 h ASP 87 Cb 1.18 -0.23 -0.06 0.00 0.18 0.00 0.00 39.33 40.41 1ip5 h ASP 87 CO 0.61 0.97 0.84 0.21 -3.12 0.00 0.00 179.24 178.75 1ip5 s ASN 88 N -6.70 7.02 0.00 6.45 3.84 -1.26 -4.89 114.94 119.40 1ip5 s ASN 88 Ca -0.10 1.38 0.11 0.00 0.21 0.00 0.00 52.86 54.46 1ip5 s ASN 88 Cb 0.13 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.64 1ip5 s ASN 88 CO 0.83 -0.74 1.27 2.30 -2.79 0.00 0.00 177.10 177.97 1ip5 n ILE 89 N 5.47 0.34 -0.14 -5.21 -5.35 -1.26 -4.45 119.36 108.76 1ip5 n ILE 89 Ca 0.13 -0.36 -0.03 0.00 -0.27 0.00 0.00 62.75 62.21 1ip5 n ILE 89 Cb 0.46 0.20 0.05 0.00 -1.74 0.00 0.00 39.64 38.60 1ip5 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ip5 h ALA 90 N 3.59 0.46 -0.50 -1.28 0.00 -1.95 0.64 119.26 120.23 1ip5 h ALA 90 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ip5 h ALA 90 Cb 0.38 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ip5 h ALA 90 CO 0.00 -0.35 0.03 -0.44 0.00 0.00 0.00 179.25 178.49 1ip5 h ASP 91 N 0.17 0.83 -0.67 0.00 3.45 -1.86 -1.23 116.42 117.11 1ip5 h ASP 91 Ca 0.22 -0.29 -0.00 0.00 0.43 0.00 0.00 57.03 57.39 1ip5 h ASP 91 Cb 0.30 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.82 1ip5 h ASP 91 CO -0.33 0.91 0.42 0.00 -1.57 0.00 0.00 179.24 178.67 1ip5 h ALA 92 N 0.95 1.47 -0.34 3.45 0.00 -1.61 -0.58 119.26 122.59 1ip5 h ALA 92 Ca 0.14 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1ip5 h ALA 92 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ip5 h ALA 92 CO 0.02 0.47 -0.22 0.28 0.00 0.00 0.00 179.25 179.80 1ip5 h VAL 93 N 0.92 1.29 -0.84 0.00 2.07 -0.60 0.12 116.25 119.21 1ip5 h VAL 93 Ca 0.24 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1ip5 h VAL 93 Cb -0.05 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1ip5 h VAL 93 CO -0.05 0.44 0.49 0.00 0.02 0.00 0.00 177.57 178.48 1ip5 h ALA 94 N 0.77 1.07 -0.33 1.67 0.00 -0.70 -0.90 119.26 120.84 1ip5 h ALA 94 Ca 0.07 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1ip5 h ALA 94 Cb 0.78 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ip5 h ALA 94 CO 0.06 0.54 -0.35 0.00 0.00 0.00 0.00 179.25 179.50 1ip5 h ALA 96 N 0.73 1.56 -0.45 0.00 0.00 -0.41 0.41 119.26 121.10 1ip5 h ALA 96 Ca 0.05 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1ip5 h ALA 96 Cb 0.94 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ip5 h ALA 96 CO 0.09 0.35 -0.22 0.87 0.00 0.00 0.00 179.25 180.33 1ip5 h LYS 97 N 0.54 0.92 -0.38 0.00 1.57 -0.98 -2.46 116.57 115.78 1ip5 h LYS 97 Ca 0.13 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1ip5 h LYS 97 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1ip5 h LYS 97 CO -0.02 1.05 0.19 -0.09 -0.57 0.00 0.00 179.45 180.01 1ip5 h ARG 98 N 0.80 0.55 -0.30 3.15 9.65 -0.37 -2.57 114.38 125.29 1ip5 h ARG 98 Ca 0.10 -0.08 0.06 0.00 -1.10 0.00 0.00 59.98 58.97 1ip5 h ARG 98 Cb 0.78 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 29.21 1ip5 h ARG 98 CO 0.07 0.48 -0.07 0.28 2.80 0.00 0.00 179.97 183.52 1ip5 h VAL 99 N 0.48 0.70 0.00 0.20 2.07 -0.75 -1.84 116.25 117.11 1ip5 h VAL 99 Ca 0.13 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1ip5 h VAL 99 Cb 0.11 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1ip5 h VAL 99 CO -0.02 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.90 1ip5 n VAL 100 N -5.25 0.14 1.27 2.57 0.24 -0.95 -2.26 118.33 114.08 1ip5 n VAL 100 Ca -0.00 0.03 0.14 0.00 -2.04 0.00 0.00 64.34 62.47 1ip5 n VAL 100 Cb 0.17 -0.69 0.61 0.00 -1.47 0.00 0.00 33.84 32.47 1ip5 n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ip5 n ARG 101 N -1.11 0.37 -1.93 7.34 1.74 -0.69 -4.29 116.66 118.09 1ip5 n ARG 101 Ca 0.14 -0.08 -0.29 0.00 -0.77 0.00 0.00 57.85 56.84 1ip5 n ARG 101 Cb 0.11 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.12 1ip5 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ip5 s ASP 102 N -2.69 4.92 0.31 0.55 -0.00 -0.96 -4.96 116.67 113.85 1ip5 s ASP 102 Ca 0.23 0.89 0.09 0.00 -0.00 0.00 0.00 52.55 53.76 1ip5 s ASP 102 Cb 0.20 -1.53 0.88 0.00 -0.00 0.00 0.00 42.92 42.47 1ip5 s ASP 102 CO 0.51 -1.64 1.70 1.55 -0.00 0.00 0.00 175.17 177.29 1ip5 h PRO 103 N -0.85 0.44 0.00 8.23 0.13 -1.88 -2.15 132.00 135.93 1ip5 h PRO 103 Ca -0.45 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1ip5 h PRO 103 Cb 1.30 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1ip5 h PRO 103 CO 0.65 0.29 -0.40 1.96 -0.23 0.00 0.00 178.00 180.27 1ip5 h GLN 104 N 0.46 0.00 0.00 0.86 4.20 -1.92 -3.49 115.11 115.22 1ip5 h GLN 104 Ca 0.64 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.35 1ip5 h GLN 104 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1ip5 h GLN 104 CO -0.53 0.40 0.00 0.00 -0.67 0.00 0.00 178.83 178.03 1ip5 n ALA 105 N -2.22 0.00 0.28 3.87 0.00 -0.81 -2.25 120.51 119.38 1ip5 n ALA 105 Ca 0.02 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.62 1ip5 n ALA 105 Cb 0.64 0.00 0.94 0.00 0.00 0.00 0.00 19.45 21.03 1ip5 n ALA 105 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1ip5 h ILE 106 N 0.00 0.41 0.00 0.00 6.09 -1.91 -2.18 117.51 119.92 1ip5 h ILE 106 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1ip5 h ILE 106 Cb 0.00 0.95 0.00 0.00 0.47 0.00 0.00 36.82 38.24 1ip5 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1ip5 n ARG 107 N -3.69 0.02 -0.16 2.19 1.74 -0.95 -2.66 116.66 113.15 1ip5 n ARG 107 Ca -0.02 0.32 0.12 0.00 -0.77 0.00 0.00 57.85 57.50 1ip5 n ARG 107 Cb 0.15 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 30.54 1ip5 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ip5 h ALA 108 N 2.34 1.97 -2.36 7.54 0.00 -1.56 -3.38 119.26 123.82 1ip5 h ALA 108 Ca 0.00 -0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1ip5 h ALA 108 Cb 0.15 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 17.72 1ip5 h ALA 108 CO 0.00 -0.14 0.19 -1.58 0.00 0.00 0.00 179.25 177.71 1ip5 s TRP 109 N -5.49 3.19 0.33 0.00 0.51 -1.09 -4.93 118.94 111.46 1ip5 s TRP 109 Ca -0.08 0.56 0.02 0.00 -2.12 0.00 0.00 56.10 54.47 1ip5 s TRP 109 Cb 0.20 -3.07 0.57 0.00 -0.81 0.00 0.00 33.47 30.37 1ip5 s TRP 109 CO 0.77 -0.53 1.94 0.28 -0.51 0.00 0.00 176.95 178.89 1ip5 h VAL 110 N 5.59 1.18 -0.62 4.03 2.07 -1.89 -1.73 116.25 124.88 1ip5 h VAL 110 Ca -0.26 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 66.81 1ip5 h VAL 110 Cb 1.11 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1ip5 h VAL 110 CO 0.82 0.21 0.41 0.00 0.02 0.00 0.00 177.57 179.04 1ip5 h ALA 111 N 1.52 1.83 -0.41 1.67 0.00 -1.94 -0.07 119.26 121.86 1ip5 h ALA 111 Ca 0.19 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1ip5 h ALA 111 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ip5 h ALA 111 CO -0.03 0.06 0.01 2.35 0.00 0.00 0.00 179.25 181.64 1ip5 h TRP 112 N 0.58 0.78 -0.60 0.00 7.01 -1.64 0.26 115.95 122.34 1ip5 h TRP 112 Ca 0.27 -0.13 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 1ip5 h TRP 112 Cb 0.33 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 1ip5 h TRP 112 CO -0.00 0.78 0.30 0.00 -2.79 0.00 0.00 178.44 176.73 1ip5 h ARG 113 N 0.55 0.85 -0.28 2.65 3.08 -1.17 0.11 114.38 120.17 1ip5 h ARG 113 Ca 0.12 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1ip5 h ARG 113 Cb 0.46 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1ip5 h ARG 113 CO 0.02 0.68 -0.16 -0.91 -1.07 0.00 0.00 179.97 178.52 1ip5 h ASN 114 N 0.81 0.64 -0.00 7.04 2.35 -0.89 -3.35 115.58 122.18 1ip5 h ASN 114 Ca 0.21 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1ip5 h ASN 114 Cb 0.10 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1ip5 h ASN 114 CO -0.03 0.92 -0.30 0.54 -1.65 0.00 0.00 177.43 176.91 1ip5 n ARG 115 N -4.39 3.31 0.00 0.81 5.12 0.07 -4.84 116.66 116.74 1ip5 n ARG 115 Ca -0.04 -0.25 0.00 0.00 -1.93 0.00 0.00 57.85 55.63 1ip5 n ARG 115 Cb 0.39 -0.96 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 1ip5 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ip5 n GLN 117 N -2.28 2.20 -2.22 0.00 7.27 0.17 -2.14 117.38 120.39 1ip5 n GLN 117 Ca 0.00 0.78 -0.17 0.00 0.07 0.00 0.00 57.00 57.68 1ip5 n GLN 117 Cb 0.36 -2.44 -0.02 0.00 2.41 0.00 0.00 30.24 30.55 1ip5 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ip5 n ASN 118 N 1.65 -4.92 -4.47 1.69 5.03 -1.26 -4.96 115.26 108.02 1ip5 n ASN 118 Ca 0.08 0.15 -0.23 0.00 0.87 0.00 0.00 54.58 55.46 1ip5 n ASN 118 Cb 0.34 -4.19 -0.10 0.00 -1.02 0.00 0.00 39.78 34.81 1ip5 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ip5 s ARG 119 N -4.69 1.66 -0.59 3.52 0.52 -0.91 -5.08 118.95 113.38 1ip5 s ARG 119 Ca 0.00 -1.85 -0.27 0.00 -0.52 0.00 0.00 55.73 53.09 1ip5 s ARG 119 Cb 0.00 -1.37 0.03 0.00 0.52 0.00 0.00 34.95 34.13 1ip5 s ARG 119 CO 0.00 0.08 1.16 0.34 0.02 0.00 0.00 175.30 176.89 1ip5 s ASP 120 N -3.51 6.41 0.00 0.23 -1.08 -1.26 -4.83 116.67 112.63 1ip5 s ASP 120 Ca 0.31 -0.01 0.15 0.00 -0.52 0.00 0.00 52.55 52.47 1ip5 s ASP 120 Cb 0.03 -2.53 0.25 0.00 -1.46 0.00 0.00 42.92 39.21 1ip5 s ASP 120 CO 0.14 -1.46 1.14 1.33 0.52 0.00 0.00 175.17 176.84 1ip5 n VAL 121 N 6.57 0.46 -0.33 1.11 0.24 -1.26 -4.62 118.33 120.50 1ip5 n VAL 121 Ca 0.07 -0.73 0.14 0.00 -2.04 0.00 0.00 64.34 61.78 1ip5 n VAL 121 Cb 0.49 0.94 0.33 0.00 -1.47 0.00 0.00 33.84 34.13 1ip5 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ip5 h ARG 122 N 2.84 0.58 -1.11 7.34 3.08 -1.92 -1.48 114.38 123.72 1ip5 h ARG 122 Ca 0.00 -0.04 0.31 0.00 0.07 0.00 0.00 59.98 60.33 1ip5 h ARG 122 Cb 0.71 -0.13 -0.10 0.00 0.08 0.00 0.00 29.97 30.53 1ip5 h ARG 122 CO 0.00 0.39 0.72 -0.56 -1.07 0.00 0.00 179.97 179.44 1ip5 h GLN 123 N 0.60 0.29 0.00 0.04 3.07 -1.98 -2.06 115.11 115.07 1ip5 h GLN 123 Ca 0.59 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 59.29 1ip5 h GLN 123 Cb 1.04 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.53 1ip5 h GLN 123 CO -0.45 0.19 -0.12 1.88 0.09 0.00 0.00 178.83 180.42 1ip5 h TYR 124 N 0.30 0.00 -0.01 0.06 0.05 -1.60 -2.98 116.97 112.79 1ip5 h TYR 124 Ca 0.65 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.43 1ip5 h TYR 124 Cb 1.80 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.54 1ip5 h TYR 124 CO -0.00 0.12 -0.07 1.33 -1.05 0.00 0.00 178.16 178.49 1ip5 n VAL 125 N -3.90 0.00 -1.69 -2.88 0.24 -0.79 -4.80 118.33 104.50 1ip5 n VAL 125 Ca -0.02 -0.47 -0.44 0.00 -2.04 0.00 0.00 64.34 61.38 1ip5 n VAL 125 Cb 0.22 1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 33.72 1ip5 n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ip5 n GLN 126 N 0.24 2.60 -0.97 7.34 1.13 -1.11 -2.09 117.38 124.52 1ip5 n GLN 126 Ca 0.05 0.94 0.00 0.00 -1.94 0.00 0.00 57.00 56.05 1ip5 n GLN 126 Cb 0.22 -2.79 0.00 0.00 0.11 0.00 0.00 30.24 27.78 1ip5 n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ip5 n GLY 127 N 3.99 0.65 0.26 1.08 0.00 -1.26 -4.90 105.19 105.00 1ip5 n GLY 127 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1ip5 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ip5 n GLY 129 N 1.34 0.08 0.31 0.00 0.00 -1.26 -4.77 105.19 100.88 1ip5 n GLY 129 Ca 0.12 -0.51 0.04 0.00 0.00 0.00 0.00 46.02 45.67 1ip5 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65