#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bb4 s VAL 2 N 0.00 4.59 0.61 3.15 1.01 -1.26 -0.76 120.40 127.75 1bb4 s VAL 2 Ca 0.00 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.54 1bb4 s VAL 2 Cb 0.00 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1bb4 s VAL 2 CO 0.00 -0.53 1.17 -0.36 0.00 0.00 0.00 175.10 175.38 1bb4 s PHE 3 N 1.50 2.46 0.04 5.22 0.40 0.70 -4.97 117.98 123.33 1bb4 s PHE 3 Ca 0.03 1.54 -0.18 0.00 -0.60 0.00 0.00 56.93 57.73 1bb4 s PHE 3 Cb -0.23 -3.37 -0.06 0.00 0.51 0.00 0.00 43.02 39.86 1bb4 s PHE 3 CO 0.04 -2.01 0.51 -2.00 0.70 0.00 0.00 175.22 172.46 1bb4 s GLU 4 N -3.56 4.10 0.05 0.44 -6.30 -1.26 -4.85 118.70 107.33 1bb4 s GLU 4 Ca 0.74 0.61 -0.10 0.00 -2.50 0.00 0.00 54.97 53.72 1bb4 s GLU 4 Cb -0.27 -3.24 -0.02 0.00 0.00 0.00 0.00 34.13 30.60 1bb4 s GLU 4 CO 0.35 0.64 0.78 -2.13 0.02 0.00 0.00 175.26 174.92 1bb4 n ARG 5 N 1.82 -0.14 0.25 4.30 0.63 -1.26 -0.43 116.66 121.83 1bb4 n ARG 5 Ca -0.12 0.77 0.14 0.00 -0.92 0.00 0.00 57.85 57.72 1bb4 n ARG 5 Cb 0.51 -1.13 0.51 0.00 0.45 0.00 0.00 32.46 32.80 1bb4 n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bb4 h GLU 7 N 0.00 0.26 -0.43 0.00 4.81 -1.14 -1.72 114.58 116.36 1bb4 h GLU 7 Ca -0.00 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 58.97 1bb4 h GLU 7 Cb 0.69 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1bb4 h GLU 7 CO 0.01 0.63 -0.28 1.25 -0.73 0.00 0.00 179.01 179.89 1bb4 h LEU 8 N -0.10 0.98 -0.38 1.64 5.85 -1.03 -2.28 115.31 119.98 1bb4 h LEU 8 Ca 0.02 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.38 1bb4 h LEU 8 Cb 0.56 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1bb4 h LEU 8 CO 0.02 1.20 0.06 0.00 -0.34 0.00 0.00 178.44 179.37 1bb4 h ALA 9 N 0.82 0.39 -0.51 1.25 0.00 -1.28 0.54 119.26 120.47 1bb4 h ALA 9 Ca 0.09 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1bb4 h ALA 9 Cb 0.86 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1bb4 h ALA 9 CO 0.08 -0.35 0.10 0.00 0.00 0.00 0.00 179.25 179.08 1bb4 h ARG 10 N 0.17 0.78 -0.17 0.00 3.08 -1.20 -2.03 114.38 115.02 1bb4 h ARG 10 Ca 0.18 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1bb4 h ARG 10 Cb 0.23 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1bb4 h ARG 10 CO -0.26 0.72 -0.24 1.15 -1.07 0.00 0.00 179.97 180.28 1bb4 h THR 11 N 0.75 1.35 -0.64 2.04 2.02 -0.75 -0.71 112.91 116.97 1bb4 h THR 11 Ca 0.16 -1.45 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 1bb4 h THR 11 Cb 0.31 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 1bb4 h THR 11 CO 0.00 0.44 0.28 -0.07 0.37 0.00 0.00 175.52 176.54 1bb4 h LEU 12 N 0.11 0.85 -0.49 2.58 3.38 -0.86 -0.71 115.31 120.17 1bb4 h LEU 12 Ca 0.02 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1bb4 h LEU 12 Cb 0.81 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1bb4 h LEU 12 CO 0.06 0.74 -0.24 0.50 0.09 0.00 0.00 178.44 179.58 1bb4 h LYS 13 N 0.92 0.98 -0.63 1.13 3.64 -1.31 -0.98 116.57 120.32 1bb4 h LYS 13 Ca 0.22 -0.43 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1bb4 h LYS 13 Cb 0.14 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1bb4 h LYS 13 CO -0.02 1.10 0.25 -0.09 -2.27 0.00 0.00 179.45 178.42 1bb4 h ARG 14 N 0.84 0.92 -0.96 1.90 2.43 -0.59 -2.24 114.38 116.67 1bb4 h ARG 14 Ca 0.10 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1bb4 h ARG 14 Cb 0.82 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1bb4 h ARG 14 CO 0.07 0.75 0.05 1.28 -1.51 0.00 0.00 179.97 180.61 1bb4 n LEU 15 N -4.31 2.61 -2.81 3.80 4.77 -0.32 -4.87 117.00 115.87 1bb4 n LEU 15 Ca 0.05 -1.33 -0.21 0.00 -0.03 0.00 0.00 56.01 54.50 1bb4 n LEU 15 Cb 0.17 -0.54 0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1bb4 n LEU 15 CO 0.39 0.44 -0.10 0.61 -1.33 0.00 0.00 177.39 177.40 1bb4 n GLY 16 N 0.16 -0.51 0.11 -0.72 0.00 -0.84 -4.91 105.19 98.48 1bb4 n GLY 16 Ca 0.07 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1bb4 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1bb4 h MET 17 N -0.82 0.00 -6.24 1.61 2.86 -1.34 -3.40 114.93 107.60 1bb4 h MET 17 Ca -0.50 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.57 1bb4 h MET 17 Cb 1.35 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.00 1bb4 h MET 17 CO 0.56 0.16 1.24 0.34 1.06 0.00 0.00 176.91 180.26 1bb4 s ASP 18 N -5.67 6.14 0.00 1.22 2.15 -1.26 -1.65 116.67 117.59 1bb4 s ASP 18 Ca -0.01 1.77 0.00 0.00 0.43 0.00 0.00 52.55 54.74 1bb4 s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1bb4 s ASP 18 CO 0.79 -1.43 0.00 0.61 -0.17 0.00 0.00 175.17 174.96 1bb4 n GLY 19 N 4.97 0.86 3.64 2.66 0.00 0.58 -4.91 105.19 112.99 1bb4 n GLY 19 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 1bb4 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bb4 n TYR 20 N -2.19 2.28 -2.17 1.61 9.36 -0.66 -0.35 117.16 125.05 1bb4 n TYR 20 Ca 0.00 -0.21 -0.20 0.00 3.32 0.00 0.00 57.90 60.81 1bb4 n TYR 20 Cb 0.00 -2.75 -0.03 0.00 -0.63 0.00 0.00 39.34 35.93 1bb4 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1bb4 n ARG 21 N 7.75 -1.66 -0.73 2.98 1.74 -1.26 -1.54 116.66 123.93 1bb4 n ARG 21 Ca 0.24 1.02 0.00 0.00 -0.77 0.00 0.00 57.85 58.34 1bb4 n ARG 21 Cb 0.39 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.23 1bb4 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bb4 n GLY 22 N -0.81 0.78 3.61 -0.13 0.00 0.53 -5.03 105.19 104.14 1bb4 n GLY 22 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1bb4 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bb4 s ILE 23 N -2.95 5.07 0.76 -0.61 -1.09 -0.59 -4.88 121.20 116.91 1bb4 s ILE 23 Ca 0.00 0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 59.09 1bb4 s ILE 23 Cb 0.00 -3.83 0.05 0.00 -1.58 0.00 0.00 42.46 37.10 1bb4 s ILE 23 CO 0.00 0.06 1.11 -0.94 -1.23 0.00 0.00 174.94 173.93 1bb4 s SER 24 N 1.59 4.43 0.13 3.58 1.04 -1.26 -0.30 113.70 122.90 1bb4 s SER 24 Ca 0.20 1.93 -0.21 0.00 0.48 0.00 0.00 55.95 58.36 1bb4 s SER 24 Cb -0.16 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.41 1bb4 s SER 24 CO 0.10 -2.08 1.68 0.25 0.98 0.00 0.00 173.24 174.17 1bb4 h LEU 25 N -0.92 -0.34 -1.75 2.42 6.46 -1.91 -1.92 115.31 117.35 1bb4 h LEU 25 Ca -0.44 0.08 0.20 0.00 -0.12 0.00 0.00 57.88 57.60 1bb4 h LEU 25 Cb 1.24 0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 41.31 1bb4 h LEU 25 CO 0.51 -0.14 0.56 0.00 -0.62 0.00 0.00 178.44 178.75 1bb4 h ALA 26 N 1.04 2.43 0.00 1.25 0.00 -1.92 0.12 119.26 122.18 1bb4 h ALA 26 Ca 0.10 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1bb4 h ALA 26 Cb 0.25 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1bb4 h ALA 26 CO -0.24 -0.67 -0.62 -0.91 0.00 0.00 0.00 179.25 176.81 1bb4 h ASN 27 N 0.22 0.00 -0.02 0.00 2.35 -1.66 -2.42 115.58 114.05 1bb4 h ASN 27 Ca 0.40 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.91 1bb4 h ASN 27 Cb 1.25 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.63 1bb4 h ASN 27 CO -0.09 0.62 -0.92 -0.50 -1.65 0.00 0.00 177.43 174.89 1bb4 h TRP 28 N 0.00 1.00 -0.49 1.19 -0.00 -0.57 -2.55 115.95 114.53 1bb4 h TRP 28 Ca -0.01 -0.50 -0.02 0.00 -0.00 0.00 0.00 58.89 58.36 1bb4 h TRP 28 Cb 1.28 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 30.29 1bb4 h TRP 28 CO 0.00 1.33 0.22 0.52 -0.00 0.00 0.00 178.44 180.51 1bb4 h MET 29 N 0.44 0.71 -0.53 0.49 2.86 -1.26 -0.51 114.93 117.13 1bb4 h MET 29 Ca -0.09 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 1bb4 h MET 29 Cb 1.56 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 33.07 1bb4 h MET 29 CO 0.18 0.62 0.23 0.00 1.06 0.00 0.00 176.91 179.00 1bb4 h LEU 31 N 0.71 0.40 -0.82 0.00 6.46 -1.28 -2.24 115.31 118.55 1bb4 h LEU 31 Ca 0.18 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1bb4 h LEU 31 Cb 0.16 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 1bb4 h LEU 31 CO -0.02 0.48 0.44 0.00 -0.62 0.00 0.00 178.44 178.72 1bb4 h ALA 32 N 0.94 1.04 0.79 1.25 0.00 -0.86 -0.55 119.26 121.88 1bb4 h ALA 32 Ca 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1bb4 h ALA 32 Cb 0.21 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1bb4 h ALA 32 CO -0.01 0.56 -0.38 -0.22 0.00 0.00 0.00 179.25 179.20 1bb4 h LYS 33 N 1.13 -1.02 0.00 0.00 1.63 -0.58 -0.81 116.57 116.92 1bb4 h LYS 33 Ca 0.29 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.16 1bb4 h LYS 33 Cb 0.04 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1bb4 h LYS 33 CO -0.05 -0.67 0.00 -1.49 -3.45 0.00 0.00 179.45 173.80 1bb4 h TRP 34 N -1.15 0.00 0.13 1.91 4.06 -1.41 1.08 115.95 120.57 1bb4 h TRP 34 Ca -0.11 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.60 1bb4 h TRP 34 Cb 0.83 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.00 1bb4 h TRP 34 CO -0.01 0.00 -1.15 0.93 -3.56 0.00 0.00 178.44 174.66 1bb4 h GLU 35 N 0.00 0.28 0.00 0.49 4.39 -1.03 -3.43 114.58 115.27 1bb4 h GLU 35 Ca 0.00 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1bb4 h GLU 35 Cb 0.52 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1bb4 h GLU 35 CO 0.00 1.23 -0.02 -1.13 -1.16 0.00 0.00 179.01 177.92 1bb4 n SER 36 N -4.01 0.12 -0.60 1.42 3.41 -0.35 -4.84 113.62 108.77 1bb4 n SER 36 Ca -0.20 -0.12 -0.06 0.00 -0.26 0.00 0.00 58.87 58.23 1bb4 n SER 36 Cb 0.87 0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 65.06 1bb4 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bb4 n GLY 37 N 0.29 0.49 2.17 5.00 0.00 0.37 -2.72 105.19 110.80 1bb4 n GLY 37 Ca 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 1bb4 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bb4 n TYR 38 N -3.41 -0.16 -3.64 1.61 4.01 -1.19 -4.82 117.16 109.56 1bb4 n TYR 38 Ca -0.07 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.28 1bb4 n TYR 38 Cb 0.38 -1.75 -0.12 0.00 -0.31 0.00 0.00 39.34 37.55 1bb4 n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1bb4 s ASN 39 N -2.81 5.60 0.34 7.72 3.84 -1.10 -0.21 114.94 128.32 1bb4 s ASN 39 Ca 0.00 -0.59 0.26 0.00 0.21 0.00 0.00 52.86 52.74 1bb4 s ASN 39 Cb 0.00 -2.01 1.16 0.00 -0.55 0.00 0.00 41.25 39.85 1bb4 s ASN 39 CO 0.00 -0.23 1.79 0.71 -2.79 0.00 0.00 177.10 176.58 1bb4 h THR 40 N 5.69 0.00 -0.47 -5.21 1.35 -1.26 -2.55 112.91 110.45 1bb4 h THR 40 Ca -0.31 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1bb4 h THR 40 Cb 1.14 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1bb4 h THR 40 CO 0.62 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.43 1bb4 n ARG 41 N -2.44 2.42 -2.12 4.72 5.12 -1.26 -3.99 116.66 119.11 1bb4 n ARG 41 Ca 0.01 -2.17 -0.37 0.00 -1.93 0.00 0.00 57.85 53.38 1bb4 n ARG 41 Cb 0.20 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.01 1bb4 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bb4 s ALA 42 N -1.38 2.91 0.10 7.54 0.00 -0.97 -4.84 121.76 125.11 1bb4 s ALA 42 Ca 0.40 1.05 -0.14 0.00 0.00 0.00 0.00 51.96 53.27 1bb4 s ALA 42 Cb 0.22 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.93 1bb4 s ALA 42 CO 0.30 -0.88 0.34 0.95 0.00 0.00 0.00 175.76 176.47 1bb4 s THR 43 N -1.49 0.09 -0.30 0.00 -4.23 -1.26 -1.40 115.64 107.05 1bb4 s THR 43 Ca 0.67 -0.74 -0.07 0.00 -1.18 0.00 0.00 61.69 60.37 1bb4 s THR 43 Cb -0.32 -1.18 0.16 0.00 1.34 0.00 0.00 72.50 72.50 1bb4 s THR 43 CO 0.38 -0.41 0.67 0.21 -0.54 0.00 0.00 174.62 174.94 1bb4 s ASN 44 N -2.70 -1.17 0.02 3.99 3.04 -0.91 -4.97 114.94 112.24 1bb4 s ASN 44 Ca 0.02 1.18 -0.26 0.00 0.04 0.00 0.00 52.86 53.84 1bb4 s ASN 44 Cb 0.02 2.16 -0.05 0.00 -1.54 0.00 0.00 41.25 41.85 1bb4 s ASN 44 CO -0.10 -0.22 0.81 -0.47 -3.04 0.00 0.00 177.10 174.08 1bb4 s TYR 45 N 2.85 3.69 -0.46 0.43 5.04 -1.26 -0.69 117.35 126.96 1bb4 s TYR 45 Ca 0.05 1.50 -0.13 0.00 -2.44 0.00 0.00 57.07 56.06 1bb4 s TYR 45 Cb -0.13 -2.90 0.08 0.00 0.35 0.00 0.00 41.96 39.37 1bb4 s TYR 45 CO -0.19 0.17 0.35 -0.80 -1.34 0.00 0.00 175.55 173.73 1bb4 s ASN 46 N 0.34 5.93 0.62 4.32 -0.87 0.32 -4.93 114.94 120.67 1bb4 s ASN 46 Ca 0.42 -1.46 0.34 0.00 -1.57 0.00 0.00 52.86 50.59 1bb4 s ASN 46 Cb -0.20 -2.10 1.93 0.00 -0.02 0.00 0.00 41.25 40.85 1bb4 s ASN 46 CO 0.24 -0.62 2.21 0.00 -2.57 0.00 0.00 177.10 176.35 1bb4 h ALA 47 N 8.61 1.45 0.21 0.60 0.00 -1.95 -0.03 119.26 128.15 1bb4 h ALA 47 Ca -0.26 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1bb4 h ALA 47 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1bb4 h ALA 47 CO 0.84 -0.13 -0.19 0.78 0.00 0.00 0.00 179.25 180.55 1bb4 h GLY 48 N 0.00 -0.88 -2.03 0.00 0.00 -1.93 -3.27 103.07 94.96 1bb4 h GLY 48 Ca 0.03 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1bb4 h GLY 48 CO -0.00 -0.30 0.00 2.09 0.00 0.00 0.00 176.54 178.33 1bb4 n ASP 49 N -3.50 4.24 -3.33 0.19 5.68 -1.19 -4.95 116.55 113.70 1bb4 n ASP 49 Ca -0.05 -2.92 -0.24 0.00 -0.50 0.00 0.00 54.79 51.08 1bb4 n ASP 49 Cb 0.18 -0.56 0.02 0.00 -1.14 0.00 0.00 41.12 39.62 1bb4 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1bb4 n ARG 50 N -0.16 -4.40 -3.80 0.11 1.74 -0.06 -4.65 116.66 105.44 1bb4 n ARG 50 Ca 0.22 0.66 -0.23 0.00 -0.77 0.00 0.00 57.85 57.73 1bb4 n ARG 50 Cb 0.93 -5.46 -0.05 0.00 -1.02 0.00 0.00 32.46 26.86 1bb4 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1bb4 s SER 51 N -2.82 4.78 -0.03 0.55 1.04 -1.01 -4.62 113.70 111.60 1bb4 s SER 51 Ca 0.41 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 55.95 1bb4 s SER 51 Cb -0.20 -0.47 0.01 0.00 0.10 0.00 0.00 66.02 65.47 1bb4 s SER 51 CO 0.51 -0.64 -0.04 -0.89 0.98 0.00 0.00 173.24 173.15 1bb4 s THR 52 N -2.54 0.44 -0.03 2.02 2.01 -1.26 0.12 115.64 116.39 1bb4 s THR 52 Ca 0.44 -0.12 -0.25 0.00 0.31 0.00 0.00 61.69 62.08 1bb4 s THR 52 Cb -0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 1bb4 s THR 52 CO 0.25 0.18 0.77 -1.81 -0.69 0.00 0.00 174.62 173.32 1bb4 s ASP 53 N 0.60 7.11 0.00 3.53 1.01 0.13 -2.16 116.67 126.89 1bb4 s ASP 53 Ca -0.07 1.33 0.08 0.00 0.71 0.00 0.00 52.55 54.60 1bb4 s ASP 53 Cb -0.11 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 1bb4 s ASP 53 CO -0.00 -0.12 -0.26 -0.31 0.21 0.00 0.00 175.17 174.69 1bb4 s TYR 54 N 0.66 2.29 0.01 4.23 1.51 -0.21 -2.14 117.35 123.70 1bb4 s TYR 54 Ca 0.40 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 56.04 1bb4 s TYR 54 Cb -0.19 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.23 1bb4 s TYR 54 CO 0.21 0.02 0.00 0.41 -1.11 0.00 0.00 175.55 175.08 1bb4 n GLY 55 N 2.20 -2.03 0.30 0.71 0.00 -0.49 -1.53 105.19 104.35 1bb4 n GLY 55 Ca -0.16 -1.41 0.15 0.00 0.00 0.00 0.00 46.02 44.60 1bb4 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bb4 h ILE 56 N -0.02 0.55 -0.01 -0.61 2.10 -1.67 -2.15 117.51 115.70 1bb4 h ILE 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1bb4 h ILE 56 Cb 0.02 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 36.71 1bb4 h ILE 56 CO 0.00 0.00 -0.36 0.49 -1.08 0.00 0.00 178.15 177.20 1bb4 n PHE 57 N -3.89 0.00 -3.43 2.19 3.72 -1.26 -3.95 117.46 110.84 1bb4 n PHE 57 Ca -0.02 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.19 1bb4 n PHE 57 Cb 0.14 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.75 1bb4 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1bb4 n GLN 58 N -0.45 -3.68 -2.64 -1.08 1.13 -0.81 -4.96 117.38 104.89 1bb4 n GLN 58 Ca 0.05 0.77 -0.42 0.00 -1.94 0.00 0.00 57.00 55.46 1bb4 n GLN 58 Cb 0.27 -5.51 -0.03 0.00 0.11 0.00 0.00 30.24 25.07 1bb4 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bb4 s ILE 59 N -3.44 4.67 0.55 5.09 1.01 -0.58 -4.39 121.20 124.11 1bb4 s ILE 59 Ca 0.27 1.94 -0.19 0.00 0.00 0.00 0.00 60.65 62.67 1bb4 s ILE 59 Cb -0.05 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 1bb4 s ILE 59 CO 0.76 0.06 1.10 0.21 0.00 0.00 0.00 174.94 177.07 1bb4 s ASN 60 N 1.12 5.81 0.00 3.58 3.84 -1.26 -1.04 114.94 126.99 1bb4 s ASN 60 Ca 0.51 2.07 0.28 0.00 0.21 0.00 0.00 52.86 55.94 1bb4 s ASN 60 Cb -0.21 -2.57 1.05 0.00 -0.55 0.00 0.00 41.25 38.97 1bb4 s ASN 60 CO 0.22 -1.16 1.76 -1.54 -2.79 0.00 0.00 177.10 173.59 1bb4 n SER 61 N -1.39 0.57 0.14 -4.21 3.41 -0.92 -3.04 113.62 108.17 1bb4 n SER 61 Ca 0.11 -0.54 0.01 0.00 -0.26 0.00 0.00 58.87 58.19 1bb4 n SER 61 Cb 0.52 -0.03 0.07 0.00 -0.26 0.00 0.00 64.21 64.51 1bb4 n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bb4 h ARG 62 N 0.62 0.00 0.00 4.33 2.43 -1.88 -3.41 114.38 116.48 1bb4 h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bb4 h ARG 62 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1bb4 h ARG 62 CO 0.00 0.56 -0.05 0.66 -1.51 0.00 0.00 179.97 179.63 1bb4 n TYR 63 N -3.33 0.00 -0.13 2.20 4.02 -1.26 -0.92 117.16 117.74 1bb4 n TYR 63 Ca 0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.67 1bb4 n TYR 63 Cb 0.72 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.93 1bb4 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1bb4 n TRP 64 N -0.09 0.00 -4.35 -0.72 7.02 -1.17 0.24 117.44 118.37 1bb4 n TRP 64 Ca 0.00 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.28 1bb4 n TRP 64 Cb 0.00 -0.96 -0.10 0.00 -2.42 0.00 0.00 31.31 27.83 1bb4 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bb4 s ASN 66 N -3.15 6.19 0.00 0.00 2.47 0.32 -4.50 114.94 116.28 1bb4 s ASN 66 Ca 0.21 -0.72 0.18 0.00 0.42 0.00 0.00 52.86 52.95 1bb4 s ASN 66 Cb -0.02 -2.22 0.22 0.00 -1.45 0.00 0.00 41.25 37.77 1bb4 s ASN 66 CO 0.07 -0.58 1.15 -0.90 -3.72 0.00 0.00 177.10 173.12 1bb4 n ASP 67 N 5.58 2.74 0.00 -4.21 5.75 -1.26 -0.58 116.55 124.56 1bb4 n ASP 67 Ca -0.08 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1bb4 n ASP 67 Cb 0.47 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1bb4 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bb4 n GLY 68 N 1.07 0.49 0.13 6.12 0.00 -1.26 -4.71 105.19 107.03 1bb4 n GLY 68 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1bb4 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bb4 n LYS 69 N -2.00 0.15 -3.48 1.61 2.85 -1.26 -5.06 118.16 110.97 1bb4 n LYS 69 Ca 0.00 -0.71 -0.39 0.00 -1.05 0.00 0.00 58.31 56.16 1bb4 n LYS 69 Cb 0.00 -0.54 -0.10 0.00 -0.65 0.00 0.00 35.03 33.74 1bb4 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1bb4 s THR 70 N -0.09 5.24 -0.20 0.58 2.01 -1.26 -4.98 115.64 116.94 1bb4 s THR 70 Ca 0.01 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 1bb4 s THR 70 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1bb4 s THR 70 CO 0.00 0.12 1.84 -2.16 -0.69 0.00 0.00 174.62 173.73 1bb4 s PRO 71 N 1.90 3.61 0.00 4.92 0.04 -1.26 -3.04 135.00 141.17 1bb4 s PRO 71 Ca 0.10 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1bb4 s PRO 71 Cb -0.16 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1bb4 s PRO 71 CO 0.11 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 176.03 1bb4 n GLY 72 N 5.04 0.84 3.76 0.56 0.00 -1.26 -5.03 105.19 109.10 1bb4 n GLY 72 Ca 0.22 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 1bb4 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb4 s ALA 73 N -2.10 2.24 -0.00 4.61 0.00 -1.17 -4.81 121.76 120.52 1bb4 s ALA 73 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1bb4 s ALA 73 Cb 0.00 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1bb4 s ALA 73 CO 0.00 -1.72 0.00 0.28 0.00 0.00 0.00 175.76 174.32 1bb4 n VAL 74 N -3.23 0.03 -3.41 0.00 0.31 -0.10 -4.92 118.33 107.02 1bb4 n VAL 74 Ca 0.10 -0.02 -0.18 0.00 -0.01 0.00 0.00 64.34 64.23 1bb4 n VAL 74 Cb 0.52 -0.89 0.07 0.00 -0.91 0.00 0.00 33.84 32.64 1bb4 n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1bb4 n ASN 75 N -2.12 -4.21 0.00 4.52 2.85 -0.75 -4.85 115.26 110.70 1bb4 n ASN 75 Ca -0.01 -0.72 0.09 0.00 -0.11 0.00 0.00 54.58 53.83 1bb4 n ASN 75 Cb 0.51 -4.89 0.50 0.00 1.24 0.00 0.00 39.78 37.15 1bb4 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1bb4 n ALA 76 N -3.76 2.08 0.40 5.20 0.00 0.64 -1.55 120.51 123.52 1bb4 n ALA 76 Ca -0.18 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.20 1bb4 n ALA 76 Cb 0.64 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 1bb4 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bb4 n HIS 78 N -0.25 -1.84 -3.96 0.00 -0.00 -0.60 -4.95 115.22 103.61 1bb4 n HIS 78 Ca 0.04 0.70 -0.09 0.00 -0.00 0.00 0.00 57.72 58.37 1bb4 n HIS 78 Cb 0.19 -3.91 -0.11 0.00 -0.00 0.00 0.00 29.99 26.16 1bb4 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1bb4 s LEU 79 N -6.66 2.13 0.05 2.41 1.43 -1.26 -5.05 118.68 111.73 1bb4 s LEU 79 Ca 0.15 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.57 1bb4 s LEU 79 Cb -0.05 0.17 -0.06 0.00 0.03 0.00 0.00 46.19 46.28 1bb4 s LEU 79 CO 0.85 -0.29 0.78 -0.94 0.23 0.00 0.00 176.35 176.98 1bb4 s SER 80 N -1.35 7.24 0.59 2.29 1.04 -1.26 0.12 113.70 122.36 1bb4 s SER 80 Ca -0.15 1.48 0.29 0.00 0.48 0.00 0.00 55.95 58.05 1bb4 s SER 80 Cb -0.09 -2.48 1.51 0.00 0.10 0.00 0.00 66.02 65.07 1bb4 s SER 80 CO -0.01 0.02 1.94 0.00 0.98 0.00 0.00 173.24 176.18 1bb4 h SER 82 N 0.00 0.00 0.78 0.00 4.64 -1.91 -2.27 113.55 114.79 1bb4 h SER 82 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1bb4 h SER 82 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1bb4 h SER 82 CO -0.00 0.27 0.00 0.00 -0.87 0.00 0.00 176.83 176.23 1bb4 n ALA 83 N -2.31 1.81 -0.42 5.18 0.00 0.71 -2.09 120.51 123.39 1bb4 n ALA 83 Ca -0.01 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1bb4 n ALA 83 Cb 0.40 -1.36 0.33 0.00 0.00 0.00 0.00 19.45 18.82 1bb4 n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bb4 n LEU 84 N -1.94 4.40 -0.27 0.00 4.77 -0.85 -3.89 117.00 119.22 1bb4 n LEU 84 Ca 0.03 -2.22 0.07 0.00 -0.03 0.00 0.00 56.01 53.87 1bb4 n LEU 84 Cb 0.25 -0.55 0.12 0.00 -2.33 0.00 0.00 43.42 40.90 1bb4 n LEU 84 CO 0.20 0.77 0.46 0.18 -1.33 0.00 0.00 177.39 177.67 1bb4 n LEU 85 N 1.09 1.89 -4.98 2.23 4.32 -0.89 -2.94 117.00 117.72 1bb4 n LEU 85 Ca 0.24 -2.74 -0.19 0.00 -0.02 0.00 0.00 56.01 53.30 1bb4 n LEU 85 Cb 0.82 -0.34 -0.01 0.00 -1.62 0.00 0.00 43.42 42.27 1bb4 n LEU 85 CO 0.22 0.70 0.04 -1.10 -1.22 0.00 0.00 177.39 176.03 1bb4 s GLN 86 N -2.26 3.11 0.24 3.23 -1.52 -1.25 -4.65 119.66 116.56 1bb4 s GLN 86 Ca 0.27 -1.02 0.01 0.00 -1.95 0.00 0.00 55.36 52.66 1bb4 s GLN 86 Cb 0.24 -2.80 0.27 0.00 -0.22 0.00 0.00 33.01 30.50 1bb4 s GLN 86 CO 0.00 0.08 1.62 -0.44 -0.25 0.00 0.00 175.29 176.30 1bb4 h ASP 87 N 0.93 0.50 -3.32 5.90 3.32 -1.93 -3.42 116.42 118.40 1bb4 h ASP 87 Ca -0.46 -0.22 -0.56 0.00 0.02 0.00 0.00 57.03 55.81 1bb4 h ASP 87 Cb 1.25 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 1bb4 h ASP 87 CO 0.53 0.86 0.39 0.21 -1.72 0.00 0.00 179.24 179.51 1bb4 s ASN 88 N -6.86 7.15 0.00 6.45 3.84 -1.26 -4.90 114.94 119.36 1bb4 s ASN 88 Ca -0.07 1.41 0.20 0.00 0.21 0.00 0.00 52.86 54.61 1bb4 s ASN 88 Cb 0.13 -2.51 0.51 0.00 -0.55 0.00 0.00 41.25 38.83 1bb4 s ASN 88 CO 0.81 -0.33 1.43 2.30 -2.79 0.00 0.00 177.10 178.51 1bb4 n ILE 89 N 4.32 0.85 0.11 -5.21 -5.35 -1.26 -4.48 119.36 108.34 1bb4 n ILE 89 Ca 0.05 -0.93 0.17 0.00 -0.27 0.00 0.00 62.75 61.77 1bb4 n ILE 89 Cb 0.50 0.64 0.72 0.00 -1.74 0.00 0.00 39.64 39.75 1bb4 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bb4 h ALA 90 N 3.80 2.19 0.14 -1.28 0.00 -1.96 0.12 119.26 122.27 1bb4 h ALA 90 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 1bb4 h ALA 90 Cb 0.92 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.76 1bb4 h ALA 90 CO 0.00 -0.42 -1.27 -0.44 0.00 0.00 0.00 179.25 177.12 1bb4 h ASP 91 N 0.00 0.79 0.33 0.00 3.32 -1.88 -2.68 116.42 116.30 1bb4 h ASP 91 Ca 0.15 -0.75 -0.20 0.00 0.02 0.00 0.00 57.03 56.26 1bb4 h ASP 91 Cb 0.66 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1bb4 h ASP 91 CO -0.00 1.57 -0.80 0.00 -1.72 0.00 0.00 179.24 178.28 1bb4 h ALA 92 N 0.34 0.53 -0.42 3.45 0.00 -1.51 -2.05 119.26 119.61 1bb4 h ALA 92 Ca -0.19 -0.65 -0.15 0.00 0.00 0.00 0.00 54.91 53.93 1bb4 h ALA 92 Cb 1.94 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1bb4 h ALA 92 CO 0.24 0.80 -0.32 0.28 0.00 0.00 0.00 179.25 180.25 1bb4 h VAL 93 N 0.23 1.27 -0.05 0.00 2.07 -0.91 0.13 116.25 119.00 1bb4 h VAL 93 Ca -0.04 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 1bb4 h VAL 93 Cb 1.40 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1bb4 h VAL 93 CO 0.13 0.50 0.01 0.00 0.02 0.00 0.00 177.57 178.24 1bb4 h ALA 94 N 0.81 0.06 -0.19 1.67 0.00 -1.46 -0.85 119.26 119.29 1bb4 h ALA 94 Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1bb4 h ALA 94 Cb 0.91 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1bb4 h ALA 94 CO 0.08 -0.32 0.02 0.00 0.00 0.00 0.00 179.25 179.04 1bb4 h LEU 96 N 0.27 0.46 -1.09 0.00 5.85 -0.23 -0.61 115.31 119.96 1bb4 h LEU 96 Ca 0.07 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.48 1bb4 h LEU 96 Cb 0.15 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1bb4 h LEU 96 CO 0.00 0.73 0.62 0.11 -0.34 0.00 0.00 178.44 179.56 1bb4 h LYS 97 N 0.18 1.04 -0.18 1.25 1.57 -0.81 -0.15 116.57 119.48 1bb4 h LYS 97 Ca 0.06 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1bb4 h LYS 97 Cb 0.54 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1bb4 h LYS 97 CO 0.03 0.69 0.07 -0.09 -0.57 0.00 0.00 179.45 179.58 1bb4 h ARG 98 N 1.07 0.26 -0.93 3.15 9.65 -1.14 0.37 114.38 126.81 1bb4 h ARG 98 Ca 0.42 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 59.27 1bb4 h ARG 98 Cb 0.24 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.73 1bb4 h ARG 98 CO -0.17 0.33 0.62 0.28 2.80 0.00 0.00 179.97 183.82 1bb4 h VAL 99 N 0.14 1.24 0.00 0.20 2.07 -0.23 -2.26 116.25 117.41 1bb4 h VAL 99 Ca 0.06 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1bb4 h VAL 99 Cb 0.16 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1bb4 h VAL 99 CO -0.01 0.23 0.00 1.62 0.02 0.00 0.00 177.57 179.43 1bb4 h VAL 100 N 1.26 0.00 -0.16 2.57 3.04 -0.79 -3.28 116.25 118.89 1bb4 h VAL 100 Ca 0.34 -0.50 -0.09 0.00 -1.01 0.00 0.00 66.70 65.45 1bb4 h VAL 100 Cb -0.15 1.49 -0.05 0.00 -2.01 0.00 0.00 31.29 30.57 1bb4 h VAL 100 CO -0.07 0.00 0.11 -1.14 -1.01 0.00 0.00 177.57 175.46 1bb4 n ARG 101 N -2.31 1.22 -3.83 4.17 0.63 0.10 -3.97 116.66 112.67 1bb4 n ARG 101 Ca 0.05 -0.50 -0.25 0.00 -0.92 0.00 0.00 57.85 56.23 1bb4 n ARG 101 Cb 0.43 -1.20 -0.01 0.00 0.45 0.00 0.00 32.46 32.13 1bb4 n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1bb4 s ASP 102 N 0.73 4.69 0.18 6.15 1.11 -1.24 -5.02 116.67 123.27 1bb4 s ASP 102 Ca 0.10 -1.15 -0.14 0.00 0.18 0.00 0.00 52.55 51.53 1bb4 s ASP 102 Cb 0.08 0.21 0.16 0.00 1.07 0.00 0.00 42.92 44.45 1bb4 s ASP 102 CO 0.02 -1.01 1.71 -0.65 1.18 0.00 0.00 175.17 176.41 1bb4 h PRO 103 N 0.81 0.19 0.02 8.23 0.11 -1.92 -3.07 132.00 136.38 1bb4 h PRO 103 Ca -0.38 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.51 1bb4 h PRO 103 Cb 1.29 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1bb4 h PRO 103 CO 0.57 0.13 -0.98 0.37 -0.21 0.00 0.00 178.00 177.88 1bb4 h GLN 104 N 0.20 0.08 0.00 1.05 4.15 -1.94 -3.50 115.11 115.16 1bb4 h GLN 104 Ca 0.23 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1bb4 h GLN 104 Cb 0.31 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1bb4 h GLN 104 CO -0.32 0.99 0.00 0.41 -1.93 0.00 0.00 178.83 177.98 1bb4 n GLY 105 N 1.19 1.35 0.30 2.39 0.00 -1.16 -3.37 105.19 105.89 1bb4 n GLY 105 Ca -0.02 -0.69 0.17 0.00 0.00 0.00 0.00 46.02 45.47 1bb4 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bb4 h ILE 106 N 0.00 0.42 -0.12 -0.61 2.10 -1.90 -1.76 117.51 115.64 1bb4 h ILE 106 Ca 0.00 -0.03 0.03 0.00 1.08 0.00 0.00 64.86 65.95 1bb4 h ILE 106 Cb 0.00 1.02 -0.00 0.00 -1.09 0.00 0.00 36.82 36.74 1bb4 h ILE 106 CO 0.00 0.01 0.21 0.03 -1.08 0.00 0.00 178.15 177.31 1bb4 h ARG 107 N 0.00 0.00 -1.00 2.19 3.08 -1.98 -1.51 114.38 115.16 1bb4 h ARG 107 Ca -0.00 0.00 0.25 0.00 0.07 0.00 0.00 59.98 60.30 1bb4 h ARG 107 Cb 0.02 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.99 1bb4 h ARG 107 CO 0.00 0.00 0.66 0.00 -1.07 0.00 0.00 179.97 179.56 1bb4 h ALA 108 N 1.70 2.35 -2.03 0.04 0.00 -1.55 -3.37 119.26 116.40 1bb4 h ALA 108 Ca 0.06 0.03 -0.63 0.00 0.00 0.00 0.00 54.91 54.36 1bb4 h ALA 108 Cb 0.47 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.14 1bb4 h ALA 108 CO -0.00 -0.70 0.32 -1.01 0.00 0.00 0.00 179.25 177.87 1bb4 s HIS 109 N -5.38 2.97 0.28 0.00 3.76 -0.57 -4.93 115.29 111.42 1bb4 s HIS 109 Ca -0.08 0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 54.84 1bb4 s HIS 109 Cb 0.24 -3.67 0.48 0.00 1.11 0.00 0.00 32.58 30.74 1bb4 s HIS 109 CO 0.79 -1.04 1.88 0.28 -0.85 0.00 0.00 174.74 175.80 1bb4 h VAL 110 N 5.96 1.04 -0.54 -0.90 2.07 -1.87 -2.02 116.25 119.99 1bb4 h VAL 110 Ca -0.25 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 66.98 1bb4 h VAL 110 Cb 1.09 -0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1bb4 h VAL 110 CO 0.97 0.20 0.12 0.00 0.02 0.00 0.00 177.57 178.88 1bb4 h ALA 111 N 1.49 0.63 0.00 1.67 0.00 -1.93 -0.10 119.26 121.01 1bb4 h ALA 111 Ca 0.44 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.39 1bb4 h ALA 111 Cb 0.25 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1bb4 h ALA 111 CO -0.19 -0.29 -0.31 2.35 0.00 0.00 0.00 179.25 180.81 1bb4 h TRP 112 N 0.26 0.00 -0.09 0.00 7.01 -1.72 -0.46 115.95 120.95 1bb4 h TRP 112 Ca 0.27 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 61.17 1bb4 h TRP 112 Cb 0.38 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 1bb4 h TRP 112 CO -0.23 0.31 -0.34 0.00 -2.79 0.00 0.00 178.44 175.39 1bb4 h ARG 113 N 0.00 0.39 -0.00 2.65 3.08 -0.70 0.53 114.38 120.34 1bb4 h ARG 113 Ca -0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1bb4 h ARG 113 Cb 0.69 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1bb4 h ARG 113 CO 0.04 0.93 -0.28 0.09 -1.07 0.00 0.00 179.97 179.68 1bb4 n ASN 114 N -4.39 0.62 0.00 7.04 5.03 -0.34 -3.76 115.26 119.46 1bb4 n ASN 114 Ca -0.08 -0.47 0.00 0.00 0.87 0.00 0.00 54.58 54.90 1bb4 n ASN 114 Cb 0.51 0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.33 1bb4 n ASN 114 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1bb4 n ARG 115 N -1.08 3.80 0.00 3.52 5.12 -0.19 -4.95 116.66 122.88 1bb4 n ARG 115 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1bb4 n ARG 115 Cb 0.33 -0.54 0.00 0.00 -1.16 0.00 0.00 32.46 31.08 1bb4 n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bb4 n GLN 117 N -2.10 1.71 -1.01 0.00 7.27 0.17 -1.52 117.38 121.90 1bb4 n GLN 117 Ca 0.00 0.62 -0.00 0.00 0.07 0.00 0.00 57.00 57.69 1bb4 n GLN 117 Cb 0.14 -2.34 -0.00 0.00 2.41 0.00 0.00 30.24 30.46 1bb4 n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1bb4 n ASN 118 N 3.15 -4.81 -4.70 1.69 3.02 -1.26 -4.91 115.26 107.44 1bb4 n ASN 118 Ca 0.18 0.01 -0.23 0.00 -0.03 0.00 0.00 54.58 54.50 1bb4 n ASN 118 Cb 0.24 -2.34 -0.07 0.00 -0.61 0.00 0.00 39.78 37.00 1bb4 n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1bb4 s ARG 119 N -1.27 2.32 -0.15 3.52 0.52 -0.58 -5.08 118.95 118.23 1bb4 s ARG 119 Ca 0.00 -1.54 -0.29 0.00 -0.52 0.00 0.00 55.73 53.38 1bb4 s ARG 119 Cb 0.00 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.32 1bb4 s ARG 119 CO 0.00 0.18 1.23 0.34 0.02 0.00 0.00 175.30 177.07 1bb4 s ASP 120 N -3.78 6.98 -0.14 0.23 -1.08 -1.26 -4.88 116.67 112.73 1bb4 s ASP 120 Ca 0.36 1.68 0.15 0.00 -0.52 0.00 0.00 52.55 54.21 1bb4 s ASP 120 Cb -0.03 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.22 1bb4 s ASP 120 CO 0.21 -0.72 1.17 1.33 0.52 0.00 0.00 175.17 177.68 1bb4 n VAL 121 N 5.24 1.66 0.27 1.11 0.24 -1.26 -4.73 118.33 120.86 1bb4 n VAL 121 Ca 0.13 -2.34 0.16 0.00 -2.04 0.00 0.00 64.34 60.25 1bb4 n VAL 121 Cb 0.45 -0.05 0.67 0.00 -1.47 0.00 0.00 33.84 33.44 1bb4 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1bb4 h ARG 122 N 0.51 0.00 0.00 7.34 3.08 -1.92 -3.05 114.38 120.34 1bb4 h ARG 122 Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1bb4 h ARG 122 Cb 1.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1bb4 h ARG 122 CO 0.01 0.06 -0.23 -0.56 -1.07 0.00 0.00 179.97 178.18 1bb4 h GLN 123 N 0.00 0.00 0.00 0.04 3.07 -1.95 -2.43 115.11 113.84 1bb4 h GLN 123 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1bb4 h GLN 123 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.08 1bb4 h GLN 123 CO 0.01 0.23 -0.08 1.88 0.09 0.00 0.00 178.83 180.95 1bb4 h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.87 -2.95 116.97 112.26 1bb4 h TYR 124 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1bb4 h TYR 124 Cb 0.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.15 1bb4 h TYR 124 CO 0.00 0.08 0.00 1.33 -1.05 0.00 0.00 178.16 178.52 1bb4 n VAL 125 N -3.49 0.04 -2.08 -2.88 0.24 -1.14 -4.81 118.33 104.21 1bb4 n VAL 125 Ca -0.02 -0.52 -0.43 0.00 -2.04 0.00 0.00 64.34 61.34 1bb4 n VAL 125 Cb 0.22 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.57 1bb4 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1bb4 s GLN 126 N -0.17 3.80 0.00 7.34 -1.52 -0.93 -2.27 119.66 125.92 1bb4 s GLN 126 Ca 0.02 1.73 0.00 0.00 -1.95 0.00 0.00 55.36 55.16 1bb4 s GLN 126 Cb 0.01 -4.05 0.00 0.00 -0.22 0.00 0.00 33.01 28.76 1bb4 s GLN 126 CO 0.02 -1.29 0.00 0.41 -0.25 0.00 0.00 175.29 174.18 1bb4 n GLY 127 N 4.66 0.50 0.05 3.09 0.00 -1.26 -4.91 105.19 107.32 1bb4 n GLY 127 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1bb4 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bb4 n GLY 129 N 1.07 -0.52 0.81 0.00 0.00 -1.26 -4.96 105.19 100.33 1bb4 n GLY 129 Ca 0.06 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1bb4 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65