#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 3.80 0.45 0.58 1.01 -1.26 -0.69 120.40 124.28 1bb4 s VAL 2 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.81 1bb4 s VAL 2 Cb 0.00 -3.06 -0.08 0.00 0.00 0.00 0.00 36.38 33.24 1bb4 s VAL 2 CO 0.00 -0.05 1.11 -0.36 0.00 0.00 0.00 175.10 175.80 1bb4 s PHE 3 N 1.44 3.01 0.48 5.22 0.40 0.74 -4.98 117.98 124.30 1bb4 s PHE 3 Ca 0.00 1.58 -0.04 0.00 -0.60 0.00 0.00 56.93 57.87 1bb4 s PHE 3 Cb -0.18 -3.25 -0.03 0.00 0.51 0.00 0.00 43.02 40.07 1bb4 s PHE 3 CO 0.02 -1.13 0.77 -1.83 0.70 0.00 0.00 175.22 173.76 1bb4 s GLU 4 N -2.72 3.39 0.03 0.44 4.04 -1.26 -4.79 118.70 117.82 1bb4 s GLU 4 Ca 0.62 0.06 -0.06 0.00 0.04 0.00 0.00 54.97 55.63 1bb4 s GLU 4 Cb -0.25 -2.40 -0.02 0.00 0.02 0.00 0.00 34.13 31.48 1bb4 s GLU 4 CO 0.30 -0.26 1.11 -0.09 -1.84 0.00 0.00 175.26 174.48 1bb4 h ARG 5 N 0.22 -0.07 0.00 -4.83 2.43 -1.96 -2.04 114.38 108.14 1bb4 h ARG 5 Ca -0.47 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 1bb4 h ARG 5 Cb 1.22 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1bb4 h ARG 5 CO 0.61 -0.04 -0.22 0.00 -1.51 0.00 0.00 179.97 178.80 1bb4 h GLU 7 N 0.00 0.01 -0.23 0.00 4.81 -1.89 -0.74 114.58 116.54 1bb4 h GLU 7 Ca -0.00 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1bb4 h GLU 7 Cb 0.43 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1bb4 h GLU 7 CO 0.03 0.01 -0.20 1.25 -0.73 0.00 0.00 179.01 179.36 1bb4 h LEU 8 N 0.01 0.41 -0.90 1.64 7.12 -1.03 -2.22 115.31 120.33 1bb4 h LEU 8 Ca 0.01 -0.12 -0.07 0.00 0.13 0.00 0.00 57.88 57.84 1bb4 h LEU 8 Cb 0.01 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.01 1bb4 h LEU 8 CO -0.02 0.62 0.08 0.00 -0.13 0.00 0.00 178.44 178.99 1bb4 h ALA 9 N 1.42 1.10 0.05 1.25 0.00 -0.78 -0.82 119.26 121.48 1bb4 h ALA 9 Ca 0.06 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.48 1bb4 h ALA 9 Cb 0.57 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bb4 h ALA 9 CO 0.04 0.59 -1.06 0.00 0.00 0.00 0.00 179.25 178.81 1bb4 h ARG 10 N 0.84 0.36 0.05 0.00 3.08 -0.90 -2.73 114.38 115.08 1bb4 h ARG 10 Ca 0.17 -0.47 -0.27 0.00 0.07 0.00 0.00 59.98 59.48 1bb4 h ARG 10 Cb 0.39 0.15 0.02 0.00 0.08 0.00 0.00 29.97 30.61 1bb4 h ARG 10 CO 0.01 1.16 -1.11 1.79 -1.07 0.00 0.00 179.97 180.74 1bb4 h THR 11 N 0.17 1.31 -0.71 2.04 1.35 -1.31 -0.44 112.91 115.33 1bb4 h THR 11 Ca -0.10 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 1bb4 h THR 11 Cb 1.73 2.53 -0.03 0.00 -1.73 0.00 0.00 68.15 70.65 1bb4 h THR 11 CO 0.18 0.73 0.45 -0.07 -0.25 0.00 0.00 175.52 176.56 1bb4 h LEU 12 N 0.31 0.83 -0.73 3.87 3.38 -1.25 -0.03 115.31 121.69 1bb4 h LEU 12 Ca -0.14 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 1bb4 h LEU 12 Cb 1.77 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1bb4 h LEU 12 CO 0.21 0.62 -0.59 0.50 0.09 0.00 0.00 178.44 179.28 1bb4 h LYS 13 N 0.96 0.15 -0.29 1.13 3.64 -1.49 -1.98 116.57 118.69 1bb4 h LYS 13 Ca 0.26 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1bb4 h LYS 13 Cb -0.07 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1bb4 h LYS 13 CO -0.05 0.69 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.54 1bb4 h ARG 14 N 0.11 0.52 -0.95 1.90 9.65 -0.42 -2.00 114.38 123.19 1bb4 h ARG 14 Ca -0.00 -0.18 -0.05 0.00 -1.10 0.00 0.00 59.98 58.65 1bb4 h ARG 14 Cb 1.06 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.57 1bb4 h ARG 14 CO 0.09 0.69 0.07 1.28 2.80 0.00 0.00 179.97 184.89 1bb4 n LEU 15 N -4.15 2.86 -3.85 3.80 4.77 -0.08 -4.88 117.00 115.46 1bb4 n LEU 15 Ca 0.00 -1.46 -0.25 0.00 -0.03 0.00 0.00 56.01 54.27 1bb4 n LEU 15 Cb 0.37 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1bb4 n LEU 15 CO 0.42 0.47 -0.09 0.61 -1.33 0.00 0.00 177.39 177.46 1bb4 n GLY 16 N 0.14 -0.31 0.03 -0.72 0.00 -0.75 -4.91 105.19 98.68 1bb4 n GLY 16 Ca 0.09 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.37 1bb4 n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bb4 n MET 17 N -4.39 0.61 -1.92 1.61 2.81 -0.79 -4.61 117.12 110.45 1bb4 n MET 17 Ca -0.23 -0.13 -0.35 0.00 -1.81 0.00 0.00 57.70 55.18 1bb4 n MET 17 Cb 0.65 -1.58 -0.03 0.00 -0.71 0.00 0.00 33.22 31.54 1bb4 n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1bb4 s ASP 18 N -4.59 5.01 0.00 7.83 2.15 -1.26 -2.01 116.67 123.79 1bb4 s ASP 18 Ca -0.06 0.35 0.00 0.00 0.43 0.00 0.00 52.55 53.27 1bb4 s ASP 18 Cb 0.13 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1bb4 s ASP 18 CO 0.88 -2.60 0.00 0.61 -0.17 0.00 0.00 175.17 173.89 1bb4 n GLY 19 N 5.96 0.76 3.64 2.66 0.00 0.11 -4.85 105.19 113.48 1bb4 n GLY 19 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1bb4 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bb4 s TYR 20 N -2.18 1.25 -1.86 1.61 5.04 -0.85 -0.85 117.35 119.51 1bb4 s TYR 20 Ca 0.00 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.43 1bb4 s TYR 20 Cb 0.00 -4.16 0.00 0.00 0.35 0.00 0.00 41.96 38.15 1bb4 s TYR 20 CO 0.00 -5.18 0.00 0.54 -1.34 0.00 0.00 175.55 169.57 1bb4 n ARG 21 N 7.85 -1.43 -0.27 4.97 5.12 -1.26 -1.41 116.66 130.24 1bb4 n ARG 21 Ca 0.22 1.06 0.00 0.00 -1.93 0.00 0.00 57.85 57.21 1bb4 n ARG 21 Cb 0.42 -5.50 0.00 0.00 -1.16 0.00 0.00 32.46 26.22 1bb4 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bb4 n GLY 22 N -0.80 1.55 3.66 -0.13 0.00 -0.02 -5.02 105.19 104.43 1bb4 n GLY 22 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.94 4.81 0.74 -0.61 1.01 -0.50 -4.84 121.20 118.88 1bb4 s ILE 23 Ca 0.00 1.74 -0.11 0.00 0.00 0.00 0.00 60.65 62.28 1bb4 s ILE 23 Cb 0.00 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.32 1bb4 s ILE 23 CO 0.00 -0.05 1.07 -0.94 0.00 0.00 0.00 174.94 175.02 1bb4 s SER 24 N 1.22 4.98 0.12 3.58 1.04 -1.26 0.05 113.70 123.43 1bb4 s SER 24 Ca 0.39 1.56 -0.20 0.00 0.48 0.00 0.00 55.95 58.18 1bb4 s SER 24 Cb -0.16 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 1bb4 s SER 24 CO 0.10 -1.69 1.73 0.25 0.98 0.00 0.00 173.24 174.61 1bb4 h LEU 25 N -0.89 -0.05 -0.94 2.42 5.85 -1.89 -2.04 115.31 117.78 1bb4 h LEU 25 Ca -0.45 0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.47 1bb4 h LEU 25 Cb 1.23 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.22 1bb4 h LEU 25 CO 0.57 0.00 0.54 0.00 -0.34 0.00 0.00 178.44 179.21 1bb4 h ALA 26 N 1.14 1.48 0.00 1.25 0.00 -1.93 0.11 119.26 121.31 1bb4 h ALA 26 Ca 0.08 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1bb4 h ALA 26 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1bb4 h ALA 26 CO -0.13 -0.02 -0.42 -0.91 0.00 0.00 0.00 179.25 177.77 1bb4 h ASN 27 N 0.74 0.00 0.10 0.00 4.21 -1.72 -1.37 115.58 117.54 1bb4 h ASN 27 Ca 0.52 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.77 1bb4 h ASN 27 Cb 0.73 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.95 1bb4 h ASN 27 CO -0.36 0.42 -1.03 -0.50 -1.29 0.00 0.00 177.43 174.67 1bb4 h TRP 28 N 0.00 0.93 -0.28 1.19 -0.00 -0.33 -2.80 115.95 114.66 1bb4 h TRP 28 Ca -0.00 -0.51 -0.08 0.00 -0.00 0.00 0.00 58.89 58.29 1bb4 h TRP 28 Cb 0.93 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.97 1bb4 h TRP 28 CO 0.00 1.34 -0.19 0.52 -0.00 0.00 0.00 178.44 180.11 1bb4 h MET 29 N 0.35 0.50 -0.07 0.49 2.86 -0.68 -1.91 114.93 116.48 1bb4 h MET 29 Ca -0.12 -0.17 -0.16 0.00 -2.06 0.00 0.00 59.70 57.20 1bb4 h MET 29 Cb 1.68 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.29 1bb4 h MET 29 CO 0.20 0.67 -0.65 0.00 1.06 0.00 0.00 176.91 178.19 1bb4 h LEU 31 N 0.19 -0.53 -0.43 0.00 6.46 -1.28 -2.44 115.31 117.27 1bb4 h LEU 31 Ca -0.01 -0.08 0.09 0.00 -0.12 0.00 0.00 57.88 57.75 1bb4 h LEU 31 Cb 1.18 0.14 -0.09 0.00 -0.73 0.00 0.00 40.66 41.16 1bb4 h LEU 31 CO 0.10 -0.17 -0.20 0.00 -0.62 0.00 0.00 178.44 177.54 1bb4 h ALA 32 N -0.62 0.11 0.21 1.25 0.00 -1.37 0.54 119.26 119.38 1bb4 h ALA 32 Ca -0.06 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1bb4 h ALA 32 Cb 0.59 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1bb4 h ALA 32 CO 0.11 -0.56 -0.46 -0.22 0.00 0.00 0.00 179.25 178.12 1bb4 h LYS 33 N -0.12 -0.72 0.00 0.00 3.11 -1.38 -0.22 116.57 117.23 1bb4 h LYS 33 Ca 0.21 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.10 1bb4 h LYS 33 Cb 0.44 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1bb4 h LYS 33 CO -0.51 -0.48 0.00 0.91 -2.81 0.00 0.00 179.45 176.56 1bb4 n TRP 34 N -5.49 0.07 -0.08 1.91 7.02 -0.92 -0.86 117.44 119.09 1bb4 n TRP 34 Ca -0.09 0.02 -0.22 0.00 -1.02 0.00 0.00 57.50 56.20 1bb4 n TRP 34 Cb 0.40 -0.54 -0.12 0.00 -2.42 0.00 0.00 31.31 28.63 1bb4 n TRP 34 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1bb4 h GLU 35 N 0.00 0.06 0.00 -0.99 4.39 -0.48 -3.45 114.58 114.11 1bb4 h GLU 35 Ca 0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1bb4 h GLU 35 Cb 0.38 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1bb4 h GLU 35 CO 0.00 1.05 0.00 -1.13 -1.16 0.00 0.00 179.01 177.77 1bb4 n SER 36 N -4.22 0.00 -0.52 1.42 3.41 -0.13 -4.82 113.62 108.75 1bb4 n SER 36 Ca -0.32 -0.88 -0.05 0.00 -0.26 0.00 0.00 58.87 57.36 1bb4 n SER 36 Cb 0.76 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.70 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 0.00 0.45 2.23 5.00 0.00 -0.04 -2.72 105.19 110.10 1bb4 n GLY 37 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.47 -0.32 -3.67 1.61 4.01 -1.23 -4.74 117.16 109.35 1bb4 n TYR 38 Ca -0.06 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.31 1bb4 n TYR 38 Cb 0.38 -2.28 -0.12 0.00 -0.31 0.00 0.00 39.34 37.01 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 -2.66 5.60 0.28 7.72 2.47 -1.10 -0.19 114.94 127.06 1bb4 s ASN 39 Ca 0.00 -0.12 0.10 0.00 0.42 0.00 0.00 52.86 53.26 1bb4 s ASN 39 Cb 0.00 -2.03 0.38 0.00 -1.45 0.00 0.00 41.25 38.15 1bb4 s ASN 39 CO 0.00 -0.05 1.63 0.71 -3.72 0.00 0.00 177.10 175.67 1bb4 h THR 40 N 5.46 1.42 -0.01 -5.21 1.35 -1.23 -2.78 112.91 111.91 1bb4 h THR 40 Ca -0.36 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 63.46 1bb4 h THR 40 Cb 1.18 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1bb4 h THR 40 CO 0.56 0.58 0.00 0.54 -0.25 0.00 0.00 175.52 176.96 1bb4 n ARG 41 N -3.84 1.18 -1.86 4.72 5.12 -1.26 -3.58 116.66 117.14 1bb4 n ARG 41 Ca -0.01 -0.26 -0.41 0.00 -1.93 0.00 0.00 57.85 55.23 1bb4 n ARG 41 Cb 0.60 -1.48 -0.01 0.00 -1.16 0.00 0.00 32.46 30.41 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 -1.99 3.65 -0.09 7.54 0.00 -1.14 -4.78 121.76 124.94 1bb4 s ALA 42 Ca 0.44 1.49 -0.10 0.00 0.00 0.00 0.00 51.96 53.79 1bb4 s ALA 42 Cb 0.21 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1bb4 s ALA 42 CO 0.35 -0.92 0.28 0.95 0.00 0.00 0.00 175.76 176.42 1bb4 s THR 43 N -0.42 0.01 -0.14 0.00 -4.23 -1.26 -0.06 115.64 109.55 1bb4 s THR 43 Ca 0.58 -0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.97 1bb4 s THR 43 Cb -0.45 -0.43 0.05 0.00 1.34 0.00 0.00 72.50 73.00 1bb4 s THR 43 CO 0.52 -0.05 0.03 0.21 -0.54 0.00 0.00 174.62 174.78 1bb4 s ASN 44 N -0.12 2.35 -0.09 3.99 2.47 -0.20 -4.94 114.94 118.40 1bb4 s ASN 44 Ca -0.02 -0.52 -0.24 0.00 0.42 0.00 0.00 52.86 52.50 1bb4 s ASN 44 Cb -0.03 -0.50 -0.03 0.00 -1.45 0.00 0.00 41.25 39.24 1bb4 s ASN 44 CO 0.01 -0.27 0.72 -0.47 -3.72 0.00 0.00 177.10 173.38 1bb4 s TYR 45 N 1.93 3.54 -0.60 0.43 5.04 -1.26 -0.91 117.35 125.51 1bb4 s TYR 45 Ca 0.02 1.24 -0.08 0.00 -2.44 0.00 0.00 57.07 55.80 1bb4 s TYR 45 Cb -0.15 -2.85 0.15 0.00 0.35 0.00 0.00 41.96 39.46 1bb4 s TYR 45 CO -0.07 0.01 0.46 -0.80 -1.34 0.00 0.00 175.55 173.81 1bb4 s ASN 46 N 0.90 5.78 0.08 4.32 0.01 -0.32 -4.90 114.94 120.80 1bb4 s ASN 46 Ca 0.37 -2.38 0.04 0.00 -0.71 0.00 0.00 52.86 50.18 1bb4 s ASN 46 Cb -0.17 -2.00 0.22 0.00 0.41 0.00 0.00 41.25 39.70 1bb4 s ASN 46 CO 0.17 -0.56 1.02 0.00 -1.51 0.00 0.00 177.10 176.22 1bb4 n ALA 47 N 4.25 0.79 -0.38 0.60 0.00 -1.26 -0.52 120.51 123.98 1bb4 n ALA 47 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1bb4 n ALA 47 Cb 0.41 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1bb4 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bb4 n GLY 48 N -1.37 -1.64 0.83 0.00 0.00 -1.26 -3.90 105.19 97.86 1bb4 n GLY 48 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1bb4 n GLY 48 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bb4 n ASP 49 N -1.43 2.41 -1.95 1.61 5.75 -1.13 -4.91 116.55 116.90 1bb4 n ASP 49 Ca 0.00 -1.95 -0.19 0.00 -0.01 0.00 0.00 54.79 52.64 1bb4 n ASP 49 Cb 0.00 -0.27 -0.05 0.00 -1.03 0.00 0.00 41.12 39.77 1bb4 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1bb4 n ARG 50 N 0.81 -1.59 -3.07 0.11 1.74 0.32 -4.57 116.66 110.40 1bb4 n ARG 50 Ca 0.16 1.04 -0.17 0.00 -0.77 0.00 0.00 57.85 58.11 1bb4 n ARG 50 Cb 0.40 -5.54 0.01 0.00 -1.02 0.00 0.00 32.46 26.30 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 -2.36 5.70 -0.00 0.55 1.04 -1.20 -4.46 113.70 112.97 1bb4 s SER 51 Ca 0.00 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.05 1bb4 s SER 51 Cb 0.00 -0.74 -0.00 0.00 0.10 0.00 0.00 66.02 65.38 1bb4 s SER 51 CO 0.00 -0.71 -0.04 -0.89 0.98 0.00 0.00 173.24 172.58 1bb4 s THR 52 N -2.33 0.29 -0.10 2.02 2.01 -1.26 -1.17 115.64 115.10 1bb4 s THR 52 Ca 0.54 -0.15 -0.16 0.00 0.31 0.00 0.00 61.69 62.22 1bb4 s THR 52 Cb -0.10 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 1bb4 s THR 52 CO 0.33 0.09 0.42 -1.81 -0.69 0.00 0.00 174.62 172.95 1bb4 s ASP 53 N -0.06 6.66 0.06 3.53 1.01 -0.09 -0.69 116.67 127.09 1bb4 s ASP 53 Ca 0.01 0.78 0.09 0.00 0.71 0.00 0.00 52.55 54.15 1bb4 s ASP 53 Cb -0.02 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.63 1bb4 s ASP 53 CO -0.00 0.10 -0.25 -0.31 0.21 0.00 0.00 175.17 174.92 1bb4 s TYR 54 N 0.18 2.36 0.03 4.23 1.51 0.10 -1.03 117.35 124.72 1bb4 s TYR 54 Ca 0.23 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1bb4 s TYR 54 Cb -0.15 -1.38 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1bb4 s TYR 54 CO 0.10 0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.13 1bb4 n GLY 55 N 1.58 -1.24 0.41 0.71 0.00 0.92 -2.24 105.19 105.34 1bb4 n GLY 55 Ca -0.17 -1.09 0.26 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.11 0.41 -0.07 -0.61 2.10 -1.58 -0.77 117.51 116.86 1bb4 h ILE 56 Ca 0.00 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.83 1bb4 h ILE 56 Cb 0.11 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 35.89 1bb4 h ILE 56 CO 0.00 0.06 0.00 0.49 -1.08 0.00 0.00 178.15 177.62 1bb4 n PHE 57 N -4.70 0.06 -3.74 2.19 3.72 -1.26 -3.85 117.46 109.88 1bb4 n PHE 57 Ca 0.29 -0.04 -0.23 0.00 -0.05 0.00 0.00 57.45 57.42 1bb4 n PHE 57 Cb 1.01 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.57 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 1.20 -4.05 -2.44 -1.08 1.13 -0.30 -4.92 117.38 106.92 1bb4 n GLN 58 Ca 0.13 0.56 -0.41 0.00 -1.94 0.00 0.00 57.00 55.34 1bb4 n GLN 58 Cb 0.53 -4.94 -0.03 0.00 0.11 0.00 0.00 30.24 25.91 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 -3.71 3.84 0.17 5.09 1.01 -0.95 -4.43 121.20 122.22 1bb4 s ILE 59 Ca 0.07 1.47 -0.29 0.00 0.00 0.00 0.00 60.65 61.90 1bb4 s ILE 59 Cb -0.02 -3.94 -0.08 0.00 0.01 0.00 0.00 42.46 38.43 1bb4 s ILE 59 CO 0.83 0.20 0.90 0.21 0.00 0.00 0.00 174.94 177.08 1bb4 s ASN 60 N 0.39 7.52 0.51 3.58 3.84 -1.26 -0.73 114.94 128.79 1bb4 s ASN 60 Ca 0.54 1.80 0.34 0.00 0.21 0.00 0.00 52.86 55.74 1bb4 s ASN 60 Cb -0.30 -2.57 1.56 0.00 -0.55 0.00 0.00 41.25 39.39 1bb4 s ASN 60 CO 0.33 0.09 2.01 0.77 -2.79 0.00 0.00 177.10 177.52 1bb4 h SER 61 N 4.73 0.00 1.15 -4.21 4.64 -1.13 -2.59 113.55 116.14 1bb4 h SER 61 Ca -0.45 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.80 1bb4 h SER 61 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1bb4 h SER 61 CO 0.69 0.00 -0.33 -0.09 -0.87 0.00 0.00 176.83 176.23 1bb4 h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.84 -3.37 114.38 116.37 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 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1bb4 h ARG 62 CO 0.00 0.33 -0.69 0.66 -1.51 0.00 0.00 179.97 178.76 1bb4 n TYR 63 N -3.35 0.00 -0.05 2.20 4.01 -1.19 -2.26 117.16 116.52 1bb4 n TYR 63 Ca 0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.68 1bb4 n TYR 63 Cb 0.55 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.53 1bb4 n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1bb4 n TRP 64 N -1.24 0.00 -4.33 -0.72 7.02 -0.98 -0.75 117.44 116.44 1bb4 n TRP 64 Ca 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.31 1bb4 n TRP 64 Cb 0.14 -0.41 -0.10 0.00 -2.42 0.00 0.00 31.31 28.52 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 -3.30 4.09 -0.02 0.00 3.84 -0.86 -4.38 114.94 114.30 1bb4 s ASN 66 Ca 0.28 -0.35 0.04 0.00 0.21 0.00 0.00 52.86 53.04 1bb4 s ASN 66 Cb 0.06 -1.65 0.09 0.00 -0.55 0.00 0.00 41.25 39.20 1bb4 s ASN 66 CO 0.09 0.11 1.07 -0.90 -2.79 0.00 0.00 177.10 174.67 1bb4 n ASP 67 N 3.92 2.23 -2.11 -4.21 5.75 -1.26 -1.19 116.55 119.68 1bb4 n ASP 67 Ca -0.18 -2.15 -0.18 0.00 -0.01 0.00 0.00 54.79 52.26 1bb4 n ASP 67 Cb 0.52 -0.10 -0.03 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 -0.45 0.29 1.16 6.12 0.00 -1.26 -4.82 105.19 106.23 1bb4 n GLY 68 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.70 0.00 -3.82 1.61 2.85 -1.26 -5.10 118.16 109.74 1bb4 n LYS 69 Ca -0.21 -1.33 -0.19 0.00 -1.05 0.00 0.00 58.31 55.53 1bb4 n LYS 69 Cb 0.65 0.30 -0.17 0.00 -0.65 0.00 0.00 35.03 35.16 1bb4 n LYS 69 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1bb4 s THR 70 N 0.00 0.16 0.97 0.58 -1.32 -1.26 -4.85 115.64 109.92 1bb4 s THR 70 Ca 0.12 0.19 -0.12 0.00 -1.21 0.00 0.00 61.69 60.67 1bb4 s THR 70 Cb 0.14 -0.31 0.10 0.00 -1.51 0.00 0.00 72.50 70.91 1bb4 s THR 70 CO -0.06 0.19 0.70 -0.81 -2.21 0.00 0.00 174.62 172.42 1bb4 n PRO 71 N 4.73 -0.59 -4.06 7.08 -0.04 -1.26 -3.66 135.00 137.20 1bb4 n PRO 71 Ca -0.15 -0.12 -0.28 0.00 -0.04 0.00 0.00 63.50 62.91 1bb4 n PRO 71 Cb 0.50 -2.06 -0.03 0.00 -0.04 0.00 0.00 33.50 31.87 1bb4 n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bb4 n GLY 72 N 1.04 -0.24 3.74 0.55 0.00 -1.26 -4.87 105.19 104.15 1bb4 n GLY 72 Ca 0.08 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.91 3.40 -0.20 4.61 0.00 -1.24 -4.72 121.76 119.70 1bb4 s ALA 73 Ca 0.13 0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.31 1bb4 s ALA 73 Cb -0.07 -2.89 -0.18 0.00 0.00 0.00 0.00 23.12 19.98 1bb4 s ALA 73 CO 0.91 0.04 -0.09 0.28 0.00 0.00 0.00 175.76 176.91 1bb4 n VAL 74 N 3.11 1.25 -3.26 0.00 0.31 -0.96 -5.01 118.33 113.77 1bb4 n VAL 74 Ca -0.04 -0.60 -0.23 0.00 -0.01 0.00 0.00 64.34 63.47 1bb4 n VAL 74 Cb 0.51 -0.97 0.05 0.00 -0.91 0.00 0.00 33.84 32.52 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 -2.94 -6.25 0.27 4.52 5.15 -1.17 -4.84 115.26 109.99 1bb4 n ASN 75 Ca -0.35 -0.39 0.09 0.00 -0.60 0.00 0.00 54.58 53.32 1bb4 n ASN 75 Cb 0.99 -4.98 0.35 0.00 -0.53 0.00 0.00 39.78 35.61 1bb4 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bb4 h ALA 76 N 1.01 1.87 -0.01 5.20 0.00 -1.02 0.81 119.26 127.13 1bb4 h ALA 76 Ca -0.55 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1bb4 h ALA 76 Cb 1.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1bb4 h ALA 76 CO 0.56 -0.83 -0.52 0.00 0.00 0.00 0.00 179.25 178.47 1bb4 n HIS 78 N -0.89 -1.74 -3.92 0.00 -0.00 0.28 -4.96 115.22 104.00 1bb4 n HIS 78 Ca 0.08 0.78 -0.10 0.00 -0.00 0.00 0.00 57.72 58.48 1bb4 n HIS 78 Cb 0.37 -3.79 -0.10 0.00 -0.00 0.00 0.00 29.99 26.47 1bb4 n HIS 78 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1bb4 s LEU 79 N -6.97 1.79 0.28 2.41 0.20 -1.26 -5.09 118.68 110.03 1bb4 s LEU 79 Ca 0.12 -0.39 -0.29 0.00 0.69 0.00 0.00 54.13 54.26 1bb4 s LEU 79 Cb -0.06 0.53 -0.09 0.00 -0.43 0.00 0.00 46.19 46.14 1bb4 s LEU 79 CO 0.88 -0.41 0.99 -0.55 -0.29 0.00 0.00 176.35 176.96 1bb4 s SER 80 N -1.70 7.44 0.45 3.68 0.15 -1.26 -2.04 113.70 120.43 1bb4 s SER 80 Ca -0.11 2.01 0.11 0.00 0.70 0.00 0.00 55.95 58.66 1bb4 s SER 80 Cb -0.05 -2.61 1.02 0.00 -1.71 0.00 0.00 66.02 62.67 1bb4 s SER 80 CO -0.01 0.00 2.07 0.00 1.20 0.00 0.00 173.24 176.50 1bb4 h SER 82 N 0.25 0.00 1.64 0.00 4.64 -1.91 0.15 113.55 118.32 1bb4 h SER 82 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1bb4 h SER 82 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1bb4 h SER 82 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 1bb4 h ALA 83 N 2.01 1.00 -0.28 5.18 0.00 -1.47 -2.91 119.26 122.79 1bb4 h ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bb4 h ALA 83 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1bb4 h ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1bb4 n LEU 84 N -2.90 2.97 -0.50 0.00 4.77 0.52 -3.60 117.00 118.26 1bb4 n LEU 84 Ca 0.03 -1.50 0.06 0.00 -0.03 0.00 0.00 56.01 54.57 1bb4 n LEU 84 Cb 0.45 -0.53 0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1bb4 n LEU 84 CO 0.31 0.43 0.37 0.18 -1.33 0.00 0.00 177.39 177.35 1bb4 n LEU 85 N 0.32 1.65 -4.96 2.23 4.32 -1.10 -2.55 117.00 116.92 1bb4 n LEU 85 Ca 0.13 -2.60 -0.22 0.00 -0.02 0.00 0.00 56.01 53.30 1bb4 n LEU 85 Cb 0.62 -0.28 -0.02 0.00 -1.62 0.00 0.00 43.42 42.12 1bb4 n LEU 85 CO 0.14 0.72 -0.04 -1.10 -1.22 0.00 0.00 177.39 175.89 1bb4 s GLN 86 N -1.83 3.44 0.35 3.23 -0.21 -1.24 -4.68 119.66 118.73 1bb4 s GLN 86 Ca 0.26 -0.70 0.11 0.00 0.02 0.00 0.00 55.36 55.05 1bb4 s GLN 86 Cb 0.25 -2.89 0.66 0.00 1.00 0.00 0.00 33.01 32.03 1bb4 s GLN 86 CO -0.03 0.43 1.80 -0.44 -2.12 0.00 0.00 175.29 174.94 1bb4 h ASP 87 N 1.35 0.07 -3.55 5.90 5.19 -1.95 -3.39 116.42 120.04 1bb4 h ASP 87 Ca -0.51 -0.03 -0.62 0.00 -0.62 0.00 0.00 57.03 55.26 1bb4 h ASP 87 Cb 1.22 -0.02 -0.12 0.00 0.18 0.00 0.00 39.33 40.59 1bb4 h ASP 87 CO 0.63 0.43 0.07 0.21 -3.12 0.00 0.00 179.24 177.46 1bb4 s ASN 88 N -6.92 6.48 0.00 6.45 3.84 -1.26 -4.95 114.94 118.58 1bb4 s ASN 88 Ca -0.03 0.51 0.17 0.00 0.21 0.00 0.00 52.86 53.72 1bb4 s ASN 88 Cb 0.14 -2.31 0.52 0.00 -0.55 0.00 0.00 41.25 39.06 1bb4 s ASN 88 CO 0.74 -0.37 1.41 2.30 -2.79 0.00 0.00 177.10 178.39 1bb4 n ILE 89 N 5.25 0.45 -0.26 -5.21 -5.35 -1.26 -4.43 119.36 108.55 1bb4 n ILE 89 Ca -0.02 -0.53 0.06 0.00 -0.27 0.00 0.00 62.75 61.98 1bb4 n ILE 89 Cb 0.49 0.41 0.19 0.00 -1.74 0.00 0.00 39.64 39.00 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 3.99 1.08 -0.65 -1.28 0.00 -1.95 0.13 119.26 120.59 1bb4 h ALA 90 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1bb4 h ALA 90 Cb 0.61 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1bb4 h ALA 90 CO 0.00 -0.21 0.07 -0.44 0.00 0.00 0.00 179.25 178.67 1bb4 h ASP 91 N 0.45 1.06 -0.32 0.00 5.19 -1.88 -1.96 116.42 118.96 1bb4 h ASP 91 Ca 0.42 -0.28 -0.18 0.00 -0.62 0.00 0.00 57.03 56.38 1bb4 h ASP 91 Cb 0.64 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 1bb4 h ASP 91 CO -0.41 1.07 -0.50 0.00 -3.12 0.00 0.00 179.24 176.28 1bb4 h ALA 92 N 1.03 0.49 -0.68 3.45 0.00 -1.53 -2.67 119.26 119.34 1bb4 h ALA 92 Ca 0.19 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1bb4 h ALA 92 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1bb4 h ALA 92 CO 0.02 0.67 0.28 0.28 0.00 0.00 0.00 179.25 180.50 1bb4 h VAL 93 N 0.69 1.24 -0.26 0.00 2.07 -0.67 0.21 116.25 119.53 1bb4 h VAL 93 Ca 0.03 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 1bb4 h VAL 93 Cb 1.10 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1bb4 h VAL 93 CO 0.11 0.30 -0.16 0.00 0.02 0.00 0.00 177.57 177.84 1bb4 h ALA 94 N 1.13 1.23 -0.08 1.67 0.00 -1.36 0.18 119.26 122.02 1bb4 h ALA 94 Ca 0.23 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 1bb4 h ALA 94 Cb 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bb4 h ALA 94 CO -0.02 0.50 -0.78 0.00 0.00 0.00 0.00 179.25 178.95 1bb4 h LEU 96 N 0.34 1.04 -1.70 0.00 5.85 -0.52 -0.88 115.31 119.44 1bb4 h LEU 96 Ca -0.05 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.43 1bb4 h LEU 96 Cb 1.38 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1bb4 h LEU 96 CO 0.14 1.11 0.33 0.11 -0.34 0.00 0.00 178.44 179.80 1bb4 h LYS 97 N 0.94 0.34 -0.05 1.25 1.57 -0.93 -0.81 116.57 118.89 1bb4 h LYS 97 Ca 0.16 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.71 1bb4 h LYS 97 Cb 0.60 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1bb4 h LYS 97 CO 0.04 0.23 -0.83 -0.09 -0.57 0.00 0.00 179.45 178.23 1bb4 h ARG 98 N 0.35 0.46 -0.30 3.15 9.65 -1.11 -3.01 114.38 123.58 1bb4 h ARG 98 Ca 0.22 -0.42 -0.01 0.00 -1.10 0.00 0.00 59.98 58.67 1bb4 h ARG 98 Cb 0.41 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1bb4 h ARG 98 CO -0.05 1.07 0.14 0.28 2.80 0.00 0.00 179.97 184.21 1bb4 h VAL 99 N 0.29 1.15 0.00 0.20 2.07 0.16 -3.02 116.25 117.11 1bb4 h VAL 99 Ca -0.05 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1bb4 h VAL 99 Cb 1.43 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1bb4 h VAL 99 CO 0.15 0.16 0.00 -0.37 0.02 0.00 0.00 177.57 177.52 1bb4 h VAL 100 N 0.35 0.00 0.00 2.57 -1.51 -1.45 -2.70 116.25 113.50 1bb4 h VAL 100 Ca 0.10 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1bb4 h VAL 100 Cb 0.12 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 1bb4 h VAL 100 CO -0.01 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.87 1bb4 n ARG 101 N -2.32 0.13 -1.24 5.19 1.74 -1.14 -3.68 116.66 115.34 1bb4 n ARG 101 Ca 0.04 0.06 -0.30 0.00 -0.77 0.00 0.00 57.85 56.88 1bb4 n ARG 101 Cb 0.33 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.40 1bb4 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bb4 s ASP 102 N -2.85 3.53 0.20 0.55 1.11 -1.02 -4.89 116.67 113.30 1bb4 s ASP 102 Ca 0.16 1.44 -0.12 0.00 0.18 0.00 0.00 52.55 54.21 1bb4 s ASP 102 Cb 0.17 -2.12 0.25 0.00 1.07 0.00 0.00 42.92 42.28 1bb4 s ASP 102 CO 0.43 -2.60 1.66 1.55 1.18 0.00 0.00 175.17 177.40 1bb4 h PRO 103 N -1.52 0.09 0.00 8.23 0.13 -1.88 -1.78 132.00 135.27 1bb4 h PRO 103 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1bb4 h PRO 103 Cb 1.29 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1bb4 h PRO 103 CO 0.55 0.06 0.00 0.94 -0.23 0.00 0.00 178.00 179.32 1bb4 n GLN 104 N -5.29 0.11 0.00 0.86 7.27 -1.26 -4.97 117.38 114.10 1bb4 n GLN 104 Ca 0.07 0.43 0.00 0.00 0.07 0.00 0.00 57.00 57.57 1bb4 n GLN 104 Cb 0.32 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 31.23 1bb4 n GLN 104 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bb4 n GLY 105 N -0.46 1.48 0.29 1.69 0.00 -0.67 -2.38 105.19 105.14 1bb4 n GLY 105 Ca 0.01 -0.53 0.17 0.00 0.00 0.00 0.00 46.02 45.67 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 0.32 0.00 -0.61 2.10 -1.90 -2.66 117.51 114.76 1bb4 h ILE 106 Ca 0.00 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.64 1bb4 h ILE 106 Cb 0.00 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 36.95 1bb4 h ILE 106 CO 0.00 0.05 0.00 0.54 -1.08 0.00 0.00 178.15 177.66 1bb4 n ARG 107 N -3.44 0.02 -0.13 2.19 1.74 -1.00 -1.34 116.66 114.70 1bb4 n ARG 107 Ca -0.02 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.93 1bb4 n ARG 107 Cb 0.18 -1.42 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 1bb4 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bb4 h ALA 108 N 1.89 0.59 -1.61 7.54 0.00 -1.61 -3.40 119.26 122.65 1bb4 h ALA 108 Ca 0.00 -0.44 -0.57 0.00 0.00 0.00 0.00 54.91 53.91 1bb4 h ALA 108 Cb 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.57 1bb4 h ALA 108 CO 0.00 0.66 0.89 -1.01 0.00 0.00 0.00 179.25 179.79 1bb4 s HIS 109 N -4.46 2.61 0.47 0.00 3.76 -0.45 -4.89 115.29 112.34 1bb4 s HIS 109 Ca -0.11 0.25 0.22 0.00 -0.15 0.00 0.00 55.06 55.27 1bb4 s HIS 109 Cb 0.11 -4.43 1.34 0.00 1.11 0.00 0.00 32.58 30.71 1bb4 s HIS 109 CO 0.88 -1.59 2.08 -0.39 -0.85 0.00 0.00 174.74 174.87 1bb4 h VAL 110 N 6.11 0.80 -0.74 -0.90 -1.51 -1.87 -1.74 116.25 116.41 1bb4 h VAL 110 Ca -0.26 -0.43 -0.05 0.00 -1.23 0.00 0.00 66.70 64.73 1bb4 h VAL 110 Cb 1.06 1.25 -0.03 0.00 -2.13 0.00 0.00 31.29 31.44 1bb4 h VAL 110 CO 1.18 0.11 0.26 0.00 -1.23 0.00 0.00 177.57 177.88 1bb4 h ALA 111 N 1.89 0.96 -0.12 5.19 0.00 -1.93 -0.26 119.26 124.98 1bb4 h ALA 111 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1bb4 h ALA 111 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1bb4 h ALA 111 CO 0.01 0.62 -0.47 2.35 0.00 0.00 0.00 179.25 181.76 1bb4 h TRP 112 N 1.08 0.36 -0.32 0.00 7.01 -1.68 -0.14 115.95 122.26 1bb4 h TRP 112 Ca 0.24 -0.11 -0.15 0.00 2.11 0.00 0.00 58.89 60.98 1bb4 h TRP 112 Cb 0.27 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 1bb4 h TRP 112 CO 0.02 0.72 -0.40 0.00 -2.79 0.00 0.00 178.44 175.99 1bb4 h ARG 113 N 0.24 0.79 0.06 2.65 3.08 -0.89 0.69 114.38 121.01 1bb4 h ARG 113 Ca 0.01 -0.42 -0.12 0.00 0.07 0.00 0.00 59.98 59.52 1bb4 h ARG 113 Cb 0.92 0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.00 1bb4 h ARG 113 CO 0.08 1.05 -0.52 -0.91 -1.07 0.00 0.00 179.97 178.59 1bb4 h ASN 114 N 0.64 0.36 -0.00 7.04 2.35 -0.95 -3.34 115.58 121.67 1bb4 h ASN 114 Ca 0.05 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 54.93 1bb4 h ASN 114 Cb 0.96 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1bb4 h ASN 114 CO 0.09 1.20 -0.69 0.54 -1.65 0.00 0.00 177.43 176.91 1bb4 n ARG 115 N -4.30 0.70 0.01 0.81 5.12 -0.07 -4.82 116.66 114.11 1bb4 n ARG 115 Ca -0.12 -0.58 0.00 0.00 -1.93 0.00 0.00 57.85 55.23 1bb4 n ARG 115 Cb 0.67 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 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 -2.93 0.53 -0.81 0.00 7.27 0.10 -1.51 117.38 120.04 1bb4 n GLN 117 Ca 0.00 0.19 0.00 0.00 0.07 0.00 0.00 57.00 57.26 1bb4 n GLN 117 Cb 0.27 -1.58 0.00 0.00 2.41 0.00 0.00 30.24 31.34 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 1.86 -2.81 -4.84 1.69 5.03 -1.26 -4.96 115.26 109.98 1bb4 n ASN 118 Ca 0.17 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.39 1bb4 n ASN 118 Cb 0.19 -2.48 -0.04 0.00 -1.02 0.00 0.00 39.78 36.43 1bb4 n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1bb4 s ARG 119 N -1.22 2.38 -0.04 3.52 0.52 -0.57 -5.08 118.95 118.46 1bb4 s ARG 119 Ca 0.00 -1.72 -0.30 0.00 -0.52 0.00 0.00 55.73 53.19 1bb4 s ARG 119 Cb 0.00 -2.20 -0.03 0.00 0.52 0.00 0.00 34.95 33.24 1bb4 s ARG 119 CO 0.00 -0.24 1.15 0.34 0.02 0.00 0.00 175.30 176.57 1bb4 s ASP 120 N -4.08 7.12 -0.06 0.23 -1.08 -1.26 -4.91 116.67 112.62 1bb4 s ASP 120 Ca 0.43 1.79 0.11 0.00 -0.52 0.00 0.00 52.55 54.36 1bb4 s ASP 120 Cb -0.01 -2.56 0.19 0.00 -1.46 0.00 0.00 42.92 39.08 1bb4 s ASP 120 CO 0.25 -0.51 1.09 1.33 0.52 0.00 0.00 175.17 177.85 1bb4 n VAL 121 N 4.42 0.86 1.15 1.11 0.24 -1.26 -4.83 118.33 120.01 1bb4 n VAL 121 Ca 0.10 -1.20 0.12 0.00 -2.04 0.00 0.00 64.34 61.32 1bb4 n VAL 121 Cb 0.47 0.23 0.62 0.00 -1.47 0.00 0.00 33.84 33.69 1bb4 n VAL 121 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1bb4 n ARG 122 N -0.54 0.34 0.09 7.34 1.74 -1.26 -2.72 116.66 121.65 1bb4 n ARG 122 Ca 0.08 0.05 -0.03 0.00 -0.77 0.00 0.00 57.85 57.18 1bb4 n ARG 122 Cb 0.73 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.61 1bb4 n ARG 122 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1bb4 h GLN 123 N 0.00 0.00 0.00 5.56 3.07 -1.96 -2.45 115.11 119.33 1bb4 h GLN 123 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1bb4 h GLN 123 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.79 1bb4 h GLN 123 CO 0.00 0.80 -0.14 1.88 0.09 0.00 0.00 178.83 181.46 1bb4 h TYR 124 N 0.00 0.00 -0.10 0.06 0.05 -1.85 -2.75 116.97 112.38 1bb4 h TYR 124 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1bb4 h TYR 124 Cb 1.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.36 1bb4 h TYR 124 CO 0.00 0.14 0.00 1.33 -1.05 0.00 0.00 178.16 178.58 1bb4 n VAL 125 N -3.69 0.54 -1.71 -2.88 0.24 -1.18 -4.83 118.33 104.82 1bb4 n VAL 125 Ca -0.02 -0.77 -0.42 0.00 -2.04 0.00 0.00 64.34 61.09 1bb4 n VAL 125 Cb 0.26 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.38 1bb4 n VAL 125 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1bb4 n GLN 126 N 0.18 2.79 -0.95 7.34 -0.06 -0.93 -2.62 117.38 123.13 1bb4 n GLN 126 Ca 0.05 1.01 0.00 0.00 -2.00 0.00 0.00 57.00 56.06 1bb4 n GLN 126 Cb 0.25 -2.87 0.00 0.00 -4.06 0.00 0.00 30.24 23.57 1bb4 n GLN 126 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bb4 n GLY 127 N 4.03 0.22 0.05 1.69 0.00 -1.26 -4.87 105.19 105.05 1bb4 n GLY 127 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 1.41 0.76 0.85 0.00 0.00 -1.26 -4.95 105.19 102.00 1bb4 n GLY 129 Ca 0.06 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.67 1bb4 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65