#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ip4 s VAL 2 N 0.00 3.81 0.59 3.15 1.01 -1.26 -0.97 120.40 126.72 1ip4 s VAL 2 Ca 0.00 -1.03 -0.17 0.00 0.00 0.00 0.00 61.98 60.78 1ip4 s VAL 2 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1ip4 s VAL 2 CO 0.00 -0.11 1.08 -0.36 0.00 0.00 0.00 175.10 175.71 1ip4 s PHE 3 N 1.42 2.82 0.29 5.22 0.08 -0.44 -5.00 117.98 122.38 1ip4 s PHE 3 Ca -0.01 1.54 -0.06 0.00 0.12 0.00 0.00 56.93 58.52 1ip4 s PHE 3 Cb -0.19 -3.12 -0.06 0.00 -0.57 0.00 0.00 43.02 39.09 1ip4 s PHE 3 CO 0.03 -1.33 0.57 -1.21 -0.10 0.00 0.00 175.22 173.18 1ip4 s GLU 4 N -3.80 3.68 0.04 0.44 2.02 -1.26 -4.86 118.70 114.95 1ip4 s GLU 4 Ca 0.67 0.11 -0.09 0.00 0.02 0.00 0.00 54.97 55.67 1ip4 s GLU 4 Cb -0.19 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 1ip4 s GLU 4 CO 0.34 0.21 1.16 -0.09 0.02 0.00 0.00 175.26 176.89 1ip4 h ARG 5 N 1.81 -0.07 0.00 1.61 2.43 -1.96 -1.48 114.38 116.72 1ip4 h ARG 5 Ca -0.47 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 1ip4 h ARG 5 Cb 1.19 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1ip4 h ARG 5 CO 0.67 -0.04 -0.18 0.00 -1.51 0.00 0.00 179.97 178.91 1ip4 h GLU 7 N 0.00 0.34 -0.51 0.00 4.81 -1.89 -1.77 114.58 115.56 1ip4 h GLU 7 Ca -0.00 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1ip4 h GLU 7 Cb 0.32 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1ip4 h GLU 7 CO 0.02 0.35 0.10 1.25 -0.73 0.00 0.00 179.01 180.01 1ip4 h LEU 8 N 0.24 0.79 -0.51 1.64 5.85 -0.77 -0.94 115.31 121.62 1ip4 h LEU 8 Ca 0.08 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1ip4 h LEU 8 Cb 0.13 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1ip4 h LEU 8 CO -0.01 0.84 0.22 0.00 -0.34 0.00 0.00 178.44 179.14 1ip4 h ALA 9 N 0.99 0.64 -0.36 1.25 0.00 -0.94 0.12 119.26 120.95 1ip4 h ALA 9 Ca 0.16 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1ip4 h ALA 9 Cb 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ip4 h ALA 9 CO 0.01 -0.16 -0.34 0.00 0.00 0.00 0.00 179.25 178.76 1ip4 h ARG 10 N 0.42 0.81 -0.42 0.00 3.08 -1.25 -1.07 114.38 115.95 1ip4 h ARG 10 Ca 0.24 -0.39 0.01 0.00 0.07 0.00 0.00 59.98 59.90 1ip4 h ARG 10 Cb 0.21 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1ip4 h ARG 10 CO -0.21 1.02 0.28 1.15 -1.07 0.00 0.00 179.97 181.14 1ip4 h THR 11 N 0.68 1.10 -0.52 2.04 2.02 -0.43 0.08 112.91 117.88 1ip4 h THR 11 Ca 0.07 -0.19 -0.12 0.00 0.77 0.00 0.00 66.41 66.93 1ip4 h THR 11 Cb 0.89 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1ip4 h THR 11 CO 0.08 0.10 -0.16 -0.07 0.37 0.00 0.00 175.52 175.84 1ip4 h LEU 12 N 0.56 1.04 -0.84 2.58 3.38 -0.72 -2.57 115.31 118.75 1ip4 h LEU 12 Ca 0.16 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1ip4 h LEU 12 Cb -0.06 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 1ip4 h LEU 12 CO -0.04 1.18 0.31 0.50 0.09 0.00 0.00 178.44 180.48 1ip4 h LYS 13 N 0.90 1.16 0.00 1.13 3.64 -0.83 -1.46 116.57 121.11 1ip4 h LYS 13 Ca 0.13 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1ip4 h LYS 13 Cb 0.74 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1ip4 h LYS 13 CO 0.06 0.94 -0.16 0.00 -2.27 0.00 0.00 179.45 178.02 1ip4 h ARG 14 N 1.13 0.00 -0.17 1.90 3.08 -0.87 -2.11 114.38 117.34 1ip4 h ARG 14 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1ip4 h ARG 14 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1ip4 h ARG 14 CO -0.02 0.16 0.00 1.28 -1.07 0.00 0.00 179.97 180.32 1ip4 n LEU 15 N -3.52 1.40 0.00 3.04 4.77 -0.60 -4.92 117.00 117.18 1ip4 n LEU 15 Ca -0.01 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1ip4 n LEU 15 Cb 0.31 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1ip4 n LEU 15 CO 0.31 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1ip4 n GLY 16 N 1.04 0.41 0.14 -0.72 0.00 -0.79 -4.98 105.19 100.28 1ip4 n GLY 16 Ca 0.14 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.37 1ip4 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ip4 h MET 17 N 0.00 0.00 -6.24 1.61 2.86 -1.61 -3.40 114.93 108.15 1ip4 h MET 17 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1ip4 h MET 17 Cb 0.74 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 1ip4 h MET 17 CO 0.00 0.00 1.28 0.34 1.06 0.00 0.00 176.91 179.59 1ip4 s ASP 18 N -5.43 5.82 0.00 1.22 2.15 -1.26 -2.00 116.67 117.16 1ip4 s ASP 18 Ca 0.03 1.19 0.00 0.00 0.43 0.00 0.00 52.55 54.20 1ip4 s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1ip4 s ASP 18 CO 0.74 -1.79 0.00 0.61 -0.17 0.00 0.00 175.17 174.57 1ip4 n GLY 19 N 5.45 0.54 3.66 2.66 0.00 0.61 -4.91 105.19 113.19 1ip4 n GLY 19 Ca 0.23 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1ip4 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ip4 s TYR 20 N -2.00 1.40 -1.57 1.61 5.04 -0.85 -1.40 117.35 119.58 1ip4 s TYR 20 Ca 0.00 -0.31 -0.15 0.00 -2.44 0.00 0.00 57.07 54.17 1ip4 s TYR 20 Cb 0.00 -4.18 0.10 0.00 0.35 0.00 0.00 41.96 38.23 1ip4 s TYR 20 CO 0.00 -5.22 0.92 0.54 -1.34 0.00 0.00 175.55 170.45 1ip4 n ARG 21 N 7.52 -4.89 -0.99 4.97 5.12 -1.26 -1.61 116.66 125.51 1ip4 n ARG 21 Ca 0.20 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 1ip4 n ARG 21 Cb 0.42 -5.40 0.00 0.00 -1.16 0.00 0.00 32.46 26.32 1ip4 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ip4 n GLY 22 N -1.60 0.73 3.58 -0.13 0.00 -0.49 -4.98 105.19 102.29 1ip4 n GLY 22 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1ip4 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ip4 s ILE 23 N -2.95 5.23 0.73 -0.61 1.01 -0.63 -4.88 121.20 119.09 1ip4 s ILE 23 Ca 0.00 0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.73 1ip4 s ILE 23 Cb 0.00 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.83 1ip4 s ILE 23 CO 0.00 0.10 1.12 -0.94 0.00 0.00 0.00 174.94 175.22 1ip4 s SER 24 N 1.71 4.61 0.20 3.58 1.04 -1.26 -0.29 113.70 123.30 1ip4 s SER 24 Ca 0.10 2.01 -0.10 0.00 0.48 0.00 0.00 55.95 58.44 1ip4 s SER 24 Cb -0.16 -2.55 0.24 0.00 0.10 0.00 0.00 66.02 63.65 1ip4 s SER 24 CO 0.11 -1.97 1.75 0.25 0.98 0.00 0.00 173.24 174.36 1ip4 h LEU 25 N -0.54 0.24 -1.24 2.42 5.85 -1.91 -1.22 115.31 118.91 1ip4 h LEU 25 Ca -0.46 0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.48 1ip4 h LEU 25 Cb 1.25 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.25 1ip4 h LEU 25 CO 0.52 0.15 0.59 0.00 -0.34 0.00 0.00 178.44 179.35 1ip4 h ALA 26 N 1.39 1.81 -0.40 1.25 0.00 -1.92 0.67 119.26 122.05 1ip4 h ALA 26 Ca 0.28 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1ip4 h ALA 26 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ip4 h ALA 26 CO -0.28 -0.07 -0.21 -0.91 0.00 0.00 0.00 179.25 177.78 1ip4 h ASN 27 N 0.71 0.88 -0.65 0.00 2.35 -1.55 -1.06 115.58 116.26 1ip4 h ASN 27 Ca 0.47 -0.41 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1ip4 h ASN 27 Cb 0.76 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 1ip4 h ASN 27 CO -0.23 1.09 0.18 -0.50 -1.65 0.00 0.00 177.43 176.32 1ip4 h TRP 28 N 0.66 1.09 -0.27 1.19 4.06 -0.86 -0.82 115.95 121.00 1ip4 h TRP 28 Ca 0.09 -0.12 -0.02 0.00 2.06 0.00 0.00 58.89 60.90 1ip4 h TRP 28 Cb 0.77 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.60 1ip4 h TRP 28 CO 0.06 0.88 0.08 0.52 -3.56 0.00 0.00 178.44 176.42 1ip4 h MET 29 N 1.00 0.42 -0.98 0.49 2.86 -0.78 -0.18 114.93 117.77 1ip4 h MET 29 Ca 0.21 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1ip4 h MET 29 Cb 0.33 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 1ip4 h MET 29 CO -0.00 0.49 0.62 0.00 1.06 0.00 0.00 176.91 179.08 1ip4 h LEU 31 N 1.33 0.18 -0.69 0.00 5.85 -0.78 -1.86 115.31 119.35 1ip4 h LEU 31 Ca 0.36 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1ip4 h LEU 31 Cb -0.12 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1ip4 h LEU 31 CO -0.07 0.29 0.31 0.00 -0.34 0.00 0.00 178.44 178.63 1ip4 h ALA 32 N 0.89 0.89 -0.09 1.25 0.00 -0.62 0.20 119.26 121.78 1ip4 h ALA 32 Ca 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ip4 h ALA 32 Cb 0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ip4 h ALA 32 CO -0.00 0.47 0.06 -0.22 0.00 0.00 0.00 179.25 179.56 1ip4 h LYS 33 N 0.96 0.13 0.00 0.00 1.63 -0.78 -1.50 116.57 117.01 1ip4 h LYS 33 Ca 0.23 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.94 1ip4 h LYS 33 Cb 0.15 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1ip4 h LYS 33 CO -0.03 0.12 -0.42 -1.49 -3.45 0.00 0.00 179.45 174.19 1ip4 h TRP 34 N 0.10 0.00 0.11 1.91 4.06 -1.19 -1.27 115.95 119.66 1ip4 h TRP 34 Ca 0.03 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.80 1ip4 h TRP 34 Cb 0.03 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.21 1ip4 h TRP 34 CO -0.06 0.42 -0.78 0.93 -3.56 0.00 0.00 178.44 175.38 1ip4 h GLU 35 N 0.00 0.34 0.00 0.49 4.39 -0.82 -3.43 114.58 115.55 1ip4 h GLU 35 Ca -0.00 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1ip4 h GLU 35 Cb 1.17 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1ip4 h GLU 35 CO 0.05 1.21 0.00 -1.13 -1.16 0.00 0.00 179.01 177.99 1ip4 n SER 36 N -4.13 0.07 -1.45 1.42 3.41 -0.59 -4.82 113.62 107.53 1ip4 n SER 36 Ca -0.13 -0.98 -0.12 0.00 -0.26 0.00 0.00 58.87 57.38 1ip4 n SER 36 Cb 0.79 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.74 1ip4 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ip4 n GLY 37 N 0.00 -0.13 2.29 5.00 0.00 -0.48 -2.41 105.19 109.47 1ip4 n GLY 37 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 1ip4 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ip4 n TYR 38 N -4.01 -0.47 -3.57 1.61 0.53 -1.18 -4.77 117.16 105.30 1ip4 n TYR 38 Ca -0.14 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.34 1ip4 n TYR 38 Cb 0.61 -2.77 -0.11 0.00 -1.03 0.00 0.00 39.34 36.04 1ip4 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1ip4 s ASN 39 N -2.52 5.90 0.53 7.72 2.47 -1.01 -1.32 114.94 126.70 1ip4 s ASN 39 Ca 0.00 -0.50 0.34 0.00 0.42 0.00 0.00 52.86 53.12 1ip4 s ASN 39 Cb 0.00 -2.09 1.45 0.00 -1.45 0.00 0.00 41.25 39.15 1ip4 s ASN 39 CO 0.00 -0.24 1.99 0.71 -3.72 0.00 0.00 177.10 175.85 1ip4 h THR 40 N 5.56 0.00 -0.62 -5.21 1.35 -1.37 -2.90 112.91 109.72 1ip4 h THR 40 Ca -0.31 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1ip4 h THR 40 Cb 1.15 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1ip4 h THR 40 CO 0.63 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.79 1ip4 n ARG 41 N -2.97 3.07 -1.80 4.72 1.85 -1.26 -4.03 116.66 116.23 1ip4 n ARG 41 Ca 0.00 -2.63 -0.41 0.00 -1.00 0.00 0.00 57.85 53.81 1ip4 n ARG 41 Cb 0.26 -1.62 -0.01 0.00 -1.05 0.00 0.00 32.46 30.05 1ip4 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ip4 s ALA 42 N -1.32 3.62 -0.01 2.89 0.00 -1.10 -4.78 121.76 121.05 1ip4 s ALA 42 Ca 0.45 1.57 -0.05 0.00 0.00 0.00 0.00 51.96 53.92 1ip4 s ALA 42 Cb 0.26 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1ip4 s ALA 42 CO 0.27 -1.03 0.11 0.95 0.00 0.00 0.00 175.76 176.05 1ip4 s THR 43 N -0.85 0.06 -0.07 0.00 -4.23 -1.26 -1.01 115.64 108.28 1ip4 s THR 43 Ca 0.55 -0.49 -0.03 0.00 -1.18 0.00 0.00 61.69 60.55 1ip4 s THR 43 Cb -0.47 -0.33 0.04 0.00 1.34 0.00 0.00 72.50 73.09 1ip4 s THR 43 CO 0.59 -0.27 0.14 0.21 -0.54 0.00 0.00 174.62 174.76 1ip4 s ASN 44 N -0.91 0.37 -0.06 3.99 2.47 -0.78 -4.98 114.94 115.05 1ip4 s ASN 44 Ca -0.10 0.29 -0.14 0.00 0.42 0.00 0.00 52.86 53.34 1ip4 s ASN 44 Cb -0.06 0.20 -0.05 0.00 -1.45 0.00 0.00 41.25 39.90 1ip4 s ASN 44 CO 0.01 -0.20 0.35 -0.47 -3.72 0.00 0.00 177.10 173.07 1ip4 s TYR 45 N 1.76 3.64 -0.51 0.43 6.14 -1.26 -1.00 117.35 126.55 1ip4 s TYR 45 Ca -0.03 0.85 -0.05 0.00 0.64 0.00 0.00 57.07 58.48 1ip4 s TYR 45 Cb -0.12 -2.27 0.13 0.00 0.42 0.00 0.00 41.96 40.12 1ip4 s TYR 45 CO -0.06 0.54 0.33 -0.80 0.64 0.00 0.00 175.55 176.21 1ip4 s ASN 46 N -0.64 5.42 0.54 4.32 0.01 -0.08 -4.96 114.94 119.55 1ip4 s ASN 46 Ca 0.21 -2.28 0.25 0.00 -0.71 0.00 0.00 52.86 50.33 1ip4 s ASN 46 Cb -0.15 -1.90 1.53 0.00 0.41 0.00 0.00 41.25 41.14 1ip4 s ASN 46 CO 0.10 -0.53 2.15 0.00 -1.51 0.00 0.00 177.10 177.31 1ip4 h ALA 47 N 7.82 1.52 -0.36 0.60 0.00 -1.96 0.75 119.26 127.63 1ip4 h ALA 47 Ca -0.10 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ip4 h ALA 47 Cb 1.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1ip4 h ALA 47 CO 0.74 0.08 0.22 0.78 0.00 0.00 0.00 179.25 181.07 1ip4 h GLY 48 N 0.35 0.50 -0.13 0.00 0.00 -1.95 -3.25 103.07 98.59 1ip4 h GLY 48 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1ip4 h GLY 48 CO 0.01 0.15 0.00 2.09 0.00 0.00 0.00 176.54 178.79 1ip4 n ASP 49 N -4.87 2.18 -3.73 0.19 5.75 -1.12 -5.01 116.55 109.93 1ip4 n ASP 49 Ca 0.00 -2.24 -0.27 0.00 -0.01 0.00 0.00 54.79 52.27 1ip4 n ASP 49 Cb 0.05 -0.12 0.05 0.00 -1.03 0.00 0.00 41.12 40.07 1ip4 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ip4 n ARG 50 N -0.62 -6.56 -4.42 0.11 1.74 0.24 -4.77 116.66 102.37 1ip4 n ARG 50 Ca 0.05 0.71 -0.26 0.00 -0.77 0.00 0.00 57.85 57.58 1ip4 n ARG 50 Cb 0.36 -5.67 -0.09 0.00 -1.02 0.00 0.00 32.46 26.03 1ip4 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ip4 s SER 51 N -3.27 4.05 -0.01 0.55 1.04 -1.12 -4.44 113.70 110.50 1ip4 s SER 51 Ca 0.62 -1.17 0.02 0.00 0.48 0.00 0.00 55.95 55.90 1ip4 s SER 51 Cb -0.29 -0.44 -0.00 0.00 0.10 0.00 0.00 66.02 65.38 1ip4 s SER 51 CO 0.76 -0.36 -0.08 -0.89 0.98 0.00 0.00 173.24 173.65 1ip4 s THR 52 N -2.61 0.63 -0.12 2.02 2.01 -1.26 -0.90 115.64 115.40 1ip4 s THR 52 Ca 0.36 -0.33 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 1ip4 s THR 52 Cb 0.04 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 1ip4 s THR 52 CO 0.19 0.18 0.35 -1.81 -0.69 0.00 0.00 174.62 172.84 1ip4 s ASP 53 N -0.11 6.56 0.01 3.53 1.01 -0.17 -1.02 116.67 126.49 1ip4 s ASP 53 Ca 0.02 0.66 0.08 0.00 0.71 0.00 0.00 52.55 54.02 1ip4 s ASP 53 Cb -0.04 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 1ip4 s ASP 53 CO -0.00 0.14 -0.24 -0.31 0.21 0.00 0.00 175.17 174.97 1ip4 s TYR 54 N 0.09 2.11 0.00 4.23 2.02 0.14 -1.87 117.35 124.07 1ip4 s TYR 54 Ca 0.20 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 1ip4 s TYR 54 Cb -0.14 -1.32 0.00 0.00 -0.40 0.00 0.00 41.96 40.10 1ip4 s TYR 54 CO 0.07 0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.49 1ip4 n GLY 55 N 2.19 -1.18 0.28 0.71 0.00 -0.18 -1.55 105.19 105.46 1ip4 n GLY 55 Ca -0.16 -1.22 0.06 0.00 0.00 0.00 0.00 46.02 44.70 1ip4 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ip4 h ILE 56 N 0.00 1.05 -0.36 -0.61 2.10 -1.69 -1.84 117.51 116.16 1ip4 h ILE 56 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1ip4 h ILE 56 Cb 0.00 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.55 1ip4 h ILE 56 CO 0.00 0.05 0.00 0.49 -1.08 0.00 0.00 178.15 177.61 1ip4 n PHE 57 N -4.50 0.47 -3.85 2.19 3.01 -1.26 -3.97 117.46 109.54 1ip4 n PHE 57 Ca -0.01 -0.31 -0.33 0.00 1.01 0.00 0.00 57.45 57.82 1ip4 n PHE 57 Cb 0.09 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 39.57 1ip4 n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1ip4 n GLN 58 N 1.12 -1.58 -2.60 -1.08 1.13 -0.69 -4.90 117.38 108.76 1ip4 n GLN 58 Ca 0.16 0.36 -0.42 0.00 -1.94 0.00 0.00 57.00 55.15 1ip4 n GLN 58 Cb 0.51 -3.91 -0.03 0.00 0.11 0.00 0.00 30.24 26.92 1ip4 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ip4 s ILE 59 N -3.64 4.58 0.11 5.09 1.01 -0.59 -4.41 121.20 123.34 1ip4 s ILE 59 Ca 0.34 1.86 -0.30 0.00 0.00 0.00 0.00 60.65 62.55 1ip4 s ILE 59 Cb -0.14 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 1ip4 s ILE 59 CO 0.89 0.07 1.02 0.21 0.00 0.00 0.00 174.94 177.14 1ip4 s ASN 60 N 1.14 7.38 0.24 3.58 3.84 -1.26 -0.69 114.94 129.17 1ip4 s ASN 60 Ca 0.53 1.87 0.23 0.00 0.21 0.00 0.00 52.86 55.70 1ip4 s ASN 60 Cb -0.22 -2.59 0.95 0.00 -0.55 0.00 0.00 41.25 38.84 1ip4 s ASN 60 CO 0.24 -0.18 1.70 -1.54 -2.79 0.00 0.00 177.10 174.53 1ip4 n SER 61 N 2.97 0.64 0.10 -4.21 3.41 -0.19 -1.65 113.62 114.69 1ip4 n SER 61 Ca 0.04 0.65 -0.01 0.00 -0.26 0.00 0.00 58.87 59.29 1ip4 n SER 61 Cb 0.48 -0.79 0.28 0.00 -0.26 0.00 0.00 64.21 63.92 1ip4 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ip4 h ARG 62 N 0.00 0.23 0.00 4.33 2.43 -1.83 -3.40 114.38 116.14 1ip4 h ARG 62 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1ip4 h ARG 62 Cb 0.38 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1ip4 h ARG 62 CO 0.00 0.54 -0.97 0.66 -1.51 0.00 0.00 179.97 178.69 1ip4 n TYR 63 N -4.10 0.00 -0.11 2.20 4.02 -1.14 -0.30 117.16 117.72 1ip4 n TYR 63 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.76 1ip4 n TYR 63 Cb 0.41 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.58 1ip4 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1ip4 n TRP 64 N -2.19 0.01 -4.18 -0.72 7.02 -0.66 -0.90 117.44 115.80 1ip4 n TRP 64 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 1ip4 n TRP 64 Cb 0.49 -1.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.27 1ip4 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ip4 s ASN 66 N -3.08 5.41 0.00 0.00 2.47 -0.20 -4.61 114.94 114.93 1ip4 s ASN 66 Ca 0.19 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.45 1ip4 s ASN 66 Cb 0.06 -1.93 0.00 0.00 -1.45 0.00 0.00 41.25 37.93 1ip4 s ASN 66 CO -0.01 0.12 0.78 -0.90 -3.72 0.00 0.00 177.10 173.38 1ip4 n ASP 67 N 3.88 1.40 0.00 -4.21 5.68 -1.26 -0.87 116.55 121.16 1ip4 n ASP 67 Ca -0.16 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 1ip4 n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1ip4 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ip4 n GLY 68 N -0.31 0.79 0.01 6.12 0.00 -1.26 -4.64 105.19 105.91 1ip4 n GLY 68 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1ip4 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ip4 n LYS 69 N -0.24 0.07 -2.72 1.61 2.85 -1.26 -4.88 118.16 113.58 1ip4 n LYS 69 Ca 0.00 0.01 -0.43 0.00 -1.05 0.00 0.00 58.31 56.84 1ip4 n LYS 69 Cb 0.00 -1.53 -0.03 0.00 -0.65 0.00 0.00 35.03 32.82 1ip4 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ip4 s THR 70 N -3.04 4.73 0.23 0.58 2.01 -1.26 -5.00 115.64 113.90 1ip4 s THR 70 Ca 0.09 1.91 -0.32 0.00 0.31 0.00 0.00 61.69 63.69 1ip4 s THR 70 Cb 0.17 -4.26 -0.13 0.00 0.01 0.00 0.00 72.50 68.29 1ip4 s THR 70 CO 0.73 -0.13 1.57 -2.65 -0.69 0.00 0.00 174.62 173.45 1ip4 n PRO 71 N 6.05 2.43 -4.36 4.92 -0.02 -1.26 -3.15 135.00 139.62 1ip4 n PRO 71 Ca 0.10 0.87 -0.39 0.00 -2.02 0.00 0.00 63.50 62.06 1ip4 n PRO 71 Cb 0.47 -2.63 -0.05 0.00 -0.02 0.00 0.00 33.50 31.26 1ip4 n PRO 71 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ip4 n ALA 72 N 2.75 -1.30 -2.46 3.55 0.00 -1.26 -4.93 120.51 116.86 1ip4 n ALA 72 Ca 0.13 -0.12 -0.25 0.00 0.00 0.00 0.00 53.44 53.20 1ip4 n ALA 72 Cb 0.33 -2.88 -0.00 0.00 0.00 0.00 0.00 19.45 16.90 1ip4 n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ip4 s ALA 73 N -3.35 3.62 0.46 0.00 0.00 -1.19 -5.04 121.76 116.28 1ip4 s ALA 73 Ca 0.72 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.89 1ip4 s ALA 73 Cb -0.41 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1ip4 s ALA 73 CO 0.97 -0.22 0.07 0.14 0.00 0.00 0.00 175.76 176.73 1ip4 s VAL 74 N -2.51 1.68 -0.43 0.00 -7.23 0.59 -5.00 120.40 107.50 1ip4 s VAL 74 Ca 0.44 -1.90 0.08 0.00 -1.81 0.00 0.00 61.98 58.80 1ip4 s VAL 74 Cb -0.10 -2.58 0.27 0.00 0.56 0.00 0.00 36.38 34.54 1ip4 s VAL 74 CO 0.39 0.00 0.61 -3.20 -0.31 0.00 0.00 175.10 172.59 1ip4 n ASN 75 N -1.21 1.02 0.12 4.85 5.15 -1.23 -3.85 115.26 120.11 1ip4 n ASN 75 Ca -0.10 -2.91 0.13 0.00 -0.60 0.00 0.00 54.58 51.10 1ip4 n ASN 75 Cb 0.66 -0.64 0.64 0.00 -0.53 0.00 0.00 39.78 39.91 1ip4 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ip4 h ALA 76 N 3.80 2.17 -0.00 5.20 0.00 -1.05 -0.79 119.26 128.58 1ip4 h ALA 76 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ip4 h ALA 76 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ip4 h ALA 76 CO 0.54 -0.24 -0.20 0.00 0.00 0.00 0.00 179.25 179.34 1ip4 n HIS 78 N -0.97 -1.91 -4.01 0.00 -0.00 -0.30 -4.95 115.22 103.08 1ip4 n HIS 78 Ca 0.12 0.71 -0.08 0.00 -0.00 0.00 0.00 57.72 58.47 1ip4 n HIS 78 Cb 0.31 -3.98 -0.11 0.00 -0.00 0.00 0.00 29.99 26.22 1ip4 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ip4 s LEU 79 N -6.56 2.29 0.37 2.41 1.43 -1.26 -5.07 118.68 112.29 1ip4 s LEU 79 Ca 0.18 -0.65 -0.24 0.00 -1.03 0.00 0.00 54.13 52.39 1ip4 s LEU 79 Cb -0.05 0.16 -0.10 0.00 0.03 0.00 0.00 46.19 46.22 1ip4 s LEU 79 CO 0.83 -0.40 0.98 -0.55 0.23 0.00 0.00 176.35 177.45 1ip4 s SER 80 N -1.92 7.06 0.64 2.29 0.15 -1.26 -1.03 113.70 119.63 1ip4 s SER 80 Ca -0.09 1.88 0.42 0.00 0.70 0.00 0.00 55.95 58.87 1ip4 s SER 80 Cb -0.04 -2.57 2.22 0.00 -1.71 0.00 0.00 66.02 63.92 1ip4 s SER 80 CO -0.04 -0.27 2.30 0.00 1.20 0.00 0.00 173.24 176.43 1ip4 h SER 82 N 0.00 0.50 0.14 0.00 0.87 -1.90 -0.76 113.55 112.40 1ip4 h SER 82 Ca -0.00 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1ip4 h SER 82 Cb 0.10 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1ip4 h SER 82 CO 0.00 0.38 -0.02 0.00 -0.53 0.00 0.00 176.83 176.65 1ip4 h ALA 83 N 1.71 1.25 -0.24 6.23 0.00 -1.51 -0.57 119.26 126.13 1ip4 h ALA 83 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ip4 h ALA 83 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ip4 h ALA 83 CO -0.03 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1ip4 n LEU 84 N -3.48 1.53 -0.11 0.00 4.77 -0.29 -3.55 117.00 115.88 1ip4 n LEU 84 Ca -0.03 -0.72 0.09 0.00 -0.03 0.00 0.00 56.01 55.32 1ip4 n LEU 84 Cb 0.12 -0.16 0.13 0.00 -2.33 0.00 0.00 43.42 41.19 1ip4 n LEU 84 CO 0.25 0.36 0.57 0.18 -1.33 0.00 0.00 177.39 177.42 1ip4 n LEU 85 N 0.29 2.39 -4.88 2.23 4.77 -0.22 -3.16 117.00 118.43 1ip4 n LEU 85 Ca 0.12 -2.98 -0.30 0.00 -0.03 0.00 0.00 56.01 52.82 1ip4 n LEU 85 Cb 0.27 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1ip4 n LEU 85 CO 0.09 0.69 0.47 -1.10 -1.33 0.00 0.00 177.39 176.21 1ip4 s GLN 86 N -2.69 3.75 0.21 3.23 -0.21 -1.23 -4.65 119.66 118.08 1ip4 s GLN 86 Ca 0.29 0.48 -0.04 0.00 0.02 0.00 0.00 55.36 56.11 1ip4 s GLN 86 Cb 0.26 -2.36 0.17 0.00 1.00 0.00 0.00 33.01 32.08 1ip4 s GLN 86 CO 0.03 -0.10 1.61 -0.44 -2.12 0.00 0.00 175.29 174.27 1ip4 h ASP 87 N 1.03 0.78 -3.18 5.90 5.19 -1.94 -3.40 116.42 120.80 1ip4 h ASP 87 Ca -0.47 -0.29 -0.56 0.00 -0.62 0.00 0.00 57.03 55.09 1ip4 h ASP 87 Cb 1.19 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 40.45 1ip4 h ASP 87 CO 0.63 1.00 0.64 0.21 -3.12 0.00 0.00 179.24 178.60 1ip4 s ASN 88 N -6.77 7.16 -0.04 6.45 3.84 -1.26 -4.89 114.94 119.42 1ip4 s ASN 88 Ca -0.09 1.62 0.15 0.00 0.21 0.00 0.00 52.86 54.75 1ip4 s ASN 88 Cb 0.13 -2.56 0.50 0.00 -0.55 0.00 0.00 41.25 38.78 1ip4 s ASN 88 CO 0.84 -0.52 1.40 2.30 -2.79 0.00 0.00 177.10 178.33 1ip4 n ILE 89 N 4.65 1.02 -0.21 -5.21 -5.35 -1.26 -4.50 119.36 108.51 1ip4 n ILE 89 Ca 0.10 -0.79 -0.01 0.00 -0.27 0.00 0.00 62.75 61.77 1ip4 n ILE 89 Cb 0.48 0.20 0.09 0.00 -1.74 0.00 0.00 39.64 38.67 1ip4 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ip4 h ALA 90 N 3.86 0.81 -0.47 -1.28 0.00 -1.95 0.44 119.26 120.68 1ip4 h ALA 90 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1ip4 h ALA 90 Cb 0.92 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1ip4 h ALA 90 CO 0.08 -0.08 -0.20 -0.44 0.00 0.00 0.00 179.25 178.62 1ip4 h ASP 91 N 0.54 0.96 -0.71 0.00 3.45 -1.87 -1.25 116.42 117.54 1ip4 h ASP 91 Ca 0.29 -0.35 -0.07 0.00 0.43 0.00 0.00 57.03 57.33 1ip4 h ASP 91 Cb 0.26 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 1ip4 h ASP 91 CO -0.22 1.12 0.16 0.00 -1.57 0.00 0.00 179.24 178.73 1ip4 h ALA 92 N 0.95 0.94 -0.56 3.45 0.00 -1.66 -1.06 119.26 121.33 1ip4 h ALA 92 Ca 0.11 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1ip4 h ALA 92 Cb 0.75 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1ip4 h ALA 92 CO 0.06 0.67 0.02 0.28 0.00 0.00 0.00 179.25 180.28 1ip4 h VAL 93 N 1.08 1.26 -0.75 0.00 2.07 -0.74 0.27 116.25 119.45 1ip4 h VAL 93 Ca 0.22 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1ip4 h VAL 93 Cb 0.39 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1ip4 h VAL 93 CO 0.00 0.39 0.44 0.00 0.02 0.00 0.00 177.57 178.43 1ip4 h ALA 94 N 0.97 0.96 -0.42 1.67 0.00 -0.95 0.47 119.26 121.96 1ip4 h ALA 94 Ca 0.16 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1ip4 h ALA 94 Cb 0.51 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ip4 h ALA 94 CO 0.02 0.45 -0.20 0.00 0.00 0.00 0.00 179.25 179.53 1ip4 h ALA 96 N 0.83 1.32 -0.69 0.00 0.00 -0.08 -0.43 119.26 120.22 1ip4 h ALA 96 Ca 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1ip4 h ALA 96 Cb 0.76 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1ip4 h ALA 96 CO 0.06 0.50 0.16 0.87 0.00 0.00 0.00 179.25 180.85 1ip4 h LYS 97 N 0.82 1.10 -0.54 0.00 1.57 -0.70 -2.34 116.57 116.47 1ip4 h LYS 97 Ca 0.20 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1ip4 h LYS 97 Cb 0.16 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1ip4 h LYS 97 CO -0.02 0.97 0.15 -0.09 -0.57 0.00 0.00 179.45 179.89 1ip4 h ARG 98 N 1.04 0.85 -0.44 3.15 9.65 -0.41 -2.44 114.38 125.78 1ip4 h ARG 98 Ca 0.22 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1ip4 h ARG 98 Cb 0.37 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.80 1ip4 h ARG 98 CO 0.00 0.79 0.22 0.28 2.80 0.00 0.00 179.97 184.07 1ip4 h VAL 99 N 0.75 0.98 0.00 0.20 2.07 -0.82 -2.66 116.25 116.77 1ip4 h VAL 99 Ca 0.17 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1ip4 h VAL 99 Cb 0.31 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1ip4 h VAL 99 CO -0.00 0.08 0.00 1.33 0.02 0.00 0.00 177.57 179.00 1ip4 n VAL 100 N -4.90 0.53 0.27 2.57 0.24 -0.91 -2.72 118.33 113.41 1ip4 n VAL 100 Ca 0.03 0.12 0.16 0.00 -2.04 0.00 0.00 64.34 62.61 1ip4 n VAL 100 Cb 0.10 -0.77 0.64 0.00 -1.47 0.00 0.00 33.84 32.35 1ip4 n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ip4 h ARG 101 N 0.00 0.00 -7.35 7.34 3.08 -1.07 -3.35 114.38 113.04 1ip4 h ARG 101 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1ip4 h ARG 101 Cb 0.39 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.58 1ip4 h ARG 101 CO 0.00 0.02 0.26 -0.51 -1.07 0.00 0.00 179.97 178.67 1ip4 s ASP 102 N -5.76 3.61 0.27 7.04 -0.00 -1.10 -4.91 116.67 115.81 1ip4 s ASP 102 Ca 0.01 1.45 -0.08 0.00 -0.00 0.00 0.00 52.55 53.93 1ip4 s ASP 102 Cb 0.09 -2.13 0.45 0.00 -0.00 0.00 0.00 42.92 41.33 1ip4 s ASP 102 CO 0.56 -2.55 1.57 -0.65 -0.00 0.00 0.00 175.17 174.11 1ip4 h PRO 103 N -1.49 0.00 0.00 8.23 0.11 -1.88 -1.68 132.00 135.29 1ip4 h PRO 103 Ca -0.49 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1ip4 h PRO 103 Cb 1.28 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ip4 h PRO 103 CO 0.55 0.00 -0.14 1.96 -0.21 0.00 0.00 178.00 180.17 1ip4 h GLN 104 N 0.00 0.00 0.00 1.05 4.20 -1.91 -3.48 115.11 114.97 1ip4 h GLN 104 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1ip4 h GLN 104 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1ip4 h GLN 104 CO -0.95 0.14 0.00 0.41 -0.67 0.00 0.00 178.83 177.76 1ip4 n GLY 105 N -0.49 2.79 0.32 3.46 0.00 -0.63 -1.89 105.19 108.75 1ip4 n GLY 105 Ca -0.01 -0.38 0.20 0.00 0.00 0.00 0.00 46.02 45.82 1ip4 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ip4 h ILE 106 N 0.00 0.19 0.00 -0.61 6.09 -1.91 -2.12 117.51 119.15 1ip4 h ILE 106 Ca 0.00 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 1ip4 h ILE 106 Cb 0.00 1.04 0.00 0.00 0.47 0.00 0.00 36.82 38.33 1ip4 h ILE 106 CO 0.00 0.01 0.00 0.54 -3.07 0.00 0.00 178.15 175.63 1ip4 n ARG 107 N -3.35 0.20 0.00 2.19 1.74 -0.79 -3.01 116.66 113.64 1ip4 n ARG 107 Ca -0.03 0.15 0.11 0.00 -0.77 0.00 0.00 57.85 57.31 1ip4 n ARG 107 Cb 0.09 -1.50 0.54 0.00 -1.02 0.00 0.00 32.46 30.58 1ip4 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ip4 h ALA 108 N 2.59 2.04 -2.49 7.54 0.00 -1.54 -3.39 119.26 124.01 1ip4 h ALA 108 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.26 1ip4 h ALA 108 Cb 0.10 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 17.69 1ip4 h ALA 108 CO 0.00 -0.13 -0.02 -1.58 0.00 0.00 0.00 179.25 177.52 1ip4 s TRP 109 N -5.29 3.21 0.29 0.00 0.51 -1.16 -4.94 118.94 111.55 1ip4 s TRP 109 Ca -0.07 0.38 0.01 0.00 -2.12 0.00 0.00 56.10 54.30 1ip4 s TRP 109 Cb 0.19 -2.87 0.53 0.00 -0.81 0.00 0.00 33.47 30.51 1ip4 s TRP 109 CO 0.73 -0.45 1.87 0.28 -0.51 0.00 0.00 176.95 178.88 1ip4 h VAL 110 N 5.54 1.00 -0.34 4.03 2.07 -1.91 -1.27 116.25 125.37 1ip4 h VAL 110 Ca -0.28 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1ip4 h VAL 110 Cb 1.13 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1ip4 h VAL 110 CO 0.75 0.19 0.21 0.00 0.02 0.00 0.00 177.57 178.74 1ip4 h ALA 111 N 1.51 1.74 -0.34 1.67 0.00 -1.94 0.74 119.26 122.64 1ip4 h ALA 111 Ca 0.45 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 1ip4 h ALA 111 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ip4 h ALA 111 CO -0.20 0.24 -0.05 2.35 0.00 0.00 0.00 179.25 181.59 1ip4 h TRP 112 N 0.46 0.70 -0.65 0.00 7.01 -1.57 -0.24 115.95 121.66 1ip4 h TRP 112 Ca 0.12 -0.14 -0.02 0.00 2.11 0.00 0.00 58.89 60.96 1ip4 h TRP 112 Cb -0.03 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.83 1ip4 h TRP 112 CO 0.00 0.78 0.31 0.00 -2.79 0.00 0.00 178.44 176.74 1ip4 h ARG 113 N 0.42 0.94 -0.20 2.65 3.08 -1.03 0.20 114.38 120.45 1ip4 h ARG 113 Ca 0.09 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1ip4 h ARG 113 Cb 0.53 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1ip4 h ARG 113 CO 0.03 0.75 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.74 1ip4 h ASN 114 N 0.90 0.37 -0.04 7.04 2.35 -0.75 -3.35 115.58 122.10 1ip4 h ASN 114 Ca 0.22 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1ip4 h ASN 114 Cb 0.13 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1ip4 h ASN 114 CO -0.03 0.64 0.00 -2.11 -1.65 0.00 0.00 177.43 174.28 1ip4 n ARG 115 N -4.65 0.93 0.00 0.81 0.00 -0.11 -4.84 116.66 108.80 1ip4 n ARG 115 Ca -0.05 -1.09 0.00 0.00 -0.00 0.00 0.00 57.85 56.71 1ip4 n ARG 115 Cb 0.26 -1.06 0.00 0.00 -0.00 0.00 0.00 32.46 31.66 1ip4 n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ip4 n GLN 117 N -1.82 2.82 -2.49 0.00 7.27 0.07 -2.22 117.38 121.01 1ip4 n GLN 117 Ca 0.00 1.02 -0.19 0.00 0.07 0.00 0.00 57.00 57.90 1ip4 n GLN 117 Cb 0.30 -2.91 -0.00 0.00 2.41 0.00 0.00 30.24 30.04 1ip4 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ip4 n ASN 118 N 5.22 -5.43 -4.66 1.69 5.03 -1.26 -4.96 115.26 110.89 1ip4 n ASN 118 Ca 0.17 -0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.38 1ip4 n ASN 118 Cb 0.37 -4.52 -0.08 0.00 -1.02 0.00 0.00 39.78 34.53 1ip4 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1ip4 s ARG 119 N -5.13 2.18 -0.57 3.52 1.81 -0.94 -5.07 118.95 114.75 1ip4 s ARG 119 Ca 0.04 -1.64 -0.25 0.00 -1.72 0.00 0.00 55.73 52.16 1ip4 s ARG 119 Cb -0.02 -2.03 0.04 0.00 -0.45 0.00 0.00 34.95 32.50 1ip4 s ARG 119 CO 0.05 0.17 0.99 0.34 -0.68 0.00 0.00 175.30 176.17 1ip4 s ASP 120 N -3.74 6.33 -0.13 0.23 -1.08 -1.26 -4.87 116.67 112.15 1ip4 s ASP 120 Ca 0.35 -0.35 0.16 0.00 -0.52 0.00 0.00 52.55 52.19 1ip4 s ASP 120 Cb -0.02 -2.46 0.58 0.00 -1.46 0.00 0.00 42.92 39.57 1ip4 s ASP 120 CO 0.20 -1.30 1.49 1.33 0.52 0.00 0.00 175.17 177.41 1ip4 n VAL 121 N 6.25 1.99 -0.34 1.11 0.24 -1.26 -4.60 118.33 121.71 1ip4 n VAL 121 Ca 0.02 -1.46 0.03 0.00 -2.04 0.00 0.00 64.34 60.89 1ip4 n VAL 121 Cb 0.48 -0.01 0.17 0.00 -1.47 0.00 0.00 33.84 33.01 1ip4 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ip4 h ARG 122 N 2.77 1.00 -0.40 7.34 3.08 -1.94 -2.40 114.38 123.83 1ip4 h ARG 122 Ca 0.00 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.11 1ip4 h ARG 122 Cb 1.39 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1ip4 h ARG 122 CO 0.22 0.66 0.48 -0.56 -1.07 0.00 0.00 179.97 179.70 1ip4 h GLN 123 N 1.03 0.00 0.00 0.04 3.07 -1.97 -2.08 115.11 115.20 1ip4 h GLN 123 Ca 0.42 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.09 1ip4 h GLN 123 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.80 1ip4 h GLN 123 CO -0.20 0.00 -0.36 1.88 0.09 0.00 0.00 178.83 180.24 1ip4 h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.77 -3.31 116.97 111.99 1ip4 h TYR 124 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 1ip4 h TYR 124 Cb 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.88 1ip4 h TYR 124 CO 0.00 0.36 -0.05 1.33 -1.05 0.00 0.00 178.16 178.74 1ip4 n VAL 125 N -3.56 0.00 -1.89 -2.88 0.24 -0.81 -4.80 118.33 104.63 1ip4 n VAL 125 Ca -0.00 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.34 61.41 1ip4 n VAL 125 Cb 0.49 1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 33.89 1ip4 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ip4 s GLN 126 N -0.66 4.19 0.00 7.34 -1.52 -1.02 -2.30 119.66 125.70 1ip4 s GLN 126 Ca 0.03 2.44 0.00 0.00 -1.95 0.00 0.00 55.36 55.88 1ip4 s GLN 126 Cb 0.03 -3.07 0.00 0.00 -0.22 0.00 0.00 33.01 29.75 1ip4 s GLN 126 CO 0.08 -0.53 0.00 0.41 -0.25 0.00 0.00 175.29 175.00 1ip4 n GLY 127 N 2.18 1.70 0.16 3.09 0.00 -1.26 -4.88 105.19 106.18 1ip4 n GLY 127 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1ip4 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ip4 n GLY 129 N 1.37 0.14 0.15 0.00 0.00 -1.26 -4.80 105.19 100.79 1ip4 n GLY 129 Ca 0.11 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.82 1ip4 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65