#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7e n ALA 2 N 0.00 -0.62 -0.07 4.61 0.00 -1.26 -4.90 120.51 118.27 2b7e n ALA 2 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.50 2b7e n ALA 2 Cb 0.00 -2.03 -0.08 0.00 0.00 0.00 0.00 19.45 17.35 2b7e n ALA 2 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2b7e h MET 3 N 0.00 0.00 -0.75 0.00 0.00 -2.05 -1.55 114.93 110.58 2b7e h MET 3 Ca -0.44 0.00 0.06 0.00 0.00 0.00 0.00 59.70 59.31 2b7e h MET 3 Cb 1.32 0.00 -0.06 0.00 0.00 0.00 0.00 31.60 32.87 2b7e h MET 3 CO 0.54 0.59 0.45 0.93 0.00 0.00 0.00 176.91 179.42 2b7e h GLU 4 N -1.00 0.80 -0.27 1.72 3.07 -1.99 0.26 114.58 117.17 2b7e h GLU 4 Ca -0.07 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 2b7e h GLU 4 Cb 0.72 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2b7e h GLU 4 CO -0.04 0.53 0.17 0.00 -1.40 0.00 0.00 179.01 178.26 2b7e h ALA 5 N 1.37 0.34 -0.07 3.43 0.00 -1.97 -1.00 119.26 121.36 2b7e h ALA 5 Ca 0.33 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2b7e h ALA 5 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2b7e h ALA 5 CO -0.17 -0.17 0.01 1.49 0.00 0.00 0.00 179.25 180.40 2b7e h GLU 6 N 0.35 0.04 -0.65 0.00 4.81 -0.72 0.19 114.58 118.59 2b7e h GLU 6 Ca 0.10 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.41 2b7e h GLU 6 Cb -0.01 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.29 2b7e h GLU 6 CO -0.02 0.02 0.29 0.87 -0.73 0.00 0.00 179.01 179.45 2b7e h LYS 7 N 0.04 0.50 0.00 1.92 1.79 -0.72 0.28 116.57 120.38 2b7e h LYS 7 Ca 0.03 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 2b7e h LYS 7 Cb 0.03 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 2b7e h LYS 7 CO -0.05 0.33 -0.44 0.93 -1.08 0.00 0.00 179.45 179.14 2b7e h GLU 8 N 0.51 0.00 -0.23 3.15 5.08 -0.95 -2.30 114.58 119.84 2b7e h GLU 8 Ca 0.32 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.48 2b7e h GLU 8 Cb 0.35 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.61 2b7e h GLU 8 CO -0.27 0.44 -0.66 0.35 -1.00 0.00 0.00 179.01 177.87 2b7e h PHE 9 N 0.00 1.09 -0.41 4.33 3.04 0.95 0.67 116.94 126.61 2b7e h PHE 9 Ca -0.00 -0.43 -0.13 0.00 3.98 0.00 0.00 57.97 61.38 2b7e h PHE 9 Cb 1.13 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.44 2b7e h PHE 9 CO 0.00 1.27 -0.28 0.82 -2.02 0.00 0.00 178.31 178.10 2b7e h ILE 10 N 0.61 1.27 0.00 1.41 1.08 -0.49 0.46 117.51 121.86 2b7e h ILE 10 Ca -0.02 -1.43 -0.08 0.00 -0.39 0.00 0.00 64.86 62.94 2b7e h ILE 10 Cb 1.28 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 2b7e h ILE 10 CO 0.14 0.48 -0.37 0.74 -0.69 0.00 0.00 178.15 178.45 2b7e h THR 11 N 0.74 1.23 0.00 -0.27 2.02 -1.34 -2.25 112.91 113.04 2b7e h THR 11 Ca 0.09 -1.28 -0.17 0.00 0.77 0.00 0.00 66.41 65.82 2b7e h THR 11 Cb 0.83 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 2b7e h THR 11 CO 0.07 0.36 -0.81 -0.03 0.37 0.00 0.00 175.52 175.48 2b7e h MET 12 N 0.00 0.00 -0.26 6.66 1.85 -0.27 -1.27 114.93 121.64 2b7e h MET 12 Ca -0.00 0.00 -0.18 0.00 -0.61 0.00 0.00 59.70 58.91 2b7e h MET 12 Cb 0.66 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.69 2b7e h MET 12 CO 0.05 0.81 -0.54 -0.07 -0.40 0.00 0.00 176.91 176.76 2b7e h LEU 13 N 0.00 0.85 -0.47 3.39 3.38 -0.40 -1.48 115.31 120.57 2b7e h LEU 13 Ca -0.01 -0.45 -0.17 0.00 0.09 0.00 0.00 57.88 57.34 2b7e h LEU 13 Cb 1.49 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2b7e h LEU 13 CO 0.11 1.22 -0.75 0.11 0.09 0.00 0.00 178.44 179.22 2b7e h LYS 14 N 0.59 0.15 -0.17 1.13 6.56 -1.35 0.17 116.57 123.65 2b7e h LYS 14 Ca 0.01 -0.13 -0.04 0.00 -1.06 0.00 0.00 60.65 59.43 2b7e h LYS 14 Cb 1.13 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.81 2b7e h LYS 14 CO 0.11 0.83 -0.07 0.93 -2.06 0.00 0.00 179.45 179.19 2b7e h GLU 15 N 0.09 0.25 -0.68 3.15 5.08 -1.07 -2.53 114.58 118.88 2b7e h GLU 15 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2b7e h GLU 15 Cb 1.32 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2b7e h GLU 15 CO 0.11 0.34 0.00 0.09 -1.00 0.00 0.00 179.01 178.55 2b7e n ASN 16 N -4.32 3.68 -2.66 1.42 3.02 -0.57 -4.93 115.26 110.90 2b7e n ASN 16 Ca -0.01 -2.02 -0.20 0.00 -0.03 0.00 0.00 54.58 52.32 2b7e n ASN 16 Cb 0.23 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 38.94 2b7e n ASN 16 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2b7e n GLN 17 N 1.46 -2.86 -2.17 3.52 1.13 -0.95 -4.90 117.38 112.60 2b7e n GLN 17 Ca 0.23 0.89 -0.42 0.00 -1.94 0.00 0.00 57.00 55.76 2b7e n GLN 17 Cb 0.59 -5.62 -0.03 0.00 0.11 0.00 0.00 30.24 25.29 2b7e n GLN 17 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2b7e s VAL 18 N -3.02 3.70 0.00 5.09 1.01 0.56 -4.98 120.40 122.76 2b7e s VAL 18 Ca 0.12 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2b7e s VAL 18 Cb -0.05 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2b7e s VAL 18 CO 0.15 -0.03 0.00 -0.90 0.00 0.00 0.00 175.10 174.31 2b7e n ASP 19 N 5.95 0.00 0.25 3.32 5.68 -1.26 -4.79 116.55 125.70 2b7e n ASP 19 Ca 0.14 0.00 0.16 0.00 -0.50 0.00 0.00 54.79 54.59 2b7e n ASP 19 Cb 0.43 0.00 0.86 0.00 -1.14 0.00 0.00 41.12 41.27 2b7e n ASP 19 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2b7e h SER 20 N 0.00 0.00 0.33 -1.12 0.87 -1.93 0.16 113.55 111.86 2b7e h SER 20 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2b7e h SER 20 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2b7e h SER 20 CO 0.00 0.00 0.00 1.07 -0.53 0.00 0.00 176.83 177.37 2b7e n THR 21 N -2.63 0.09 -3.82 2.23 5.66 -1.26 -4.73 114.28 109.82 2b7e n THR 21 Ca -0.02 0.02 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 2b7e n THR 21 Cb 0.09 -0.58 -0.06 0.00 -1.55 0.00 0.00 70.33 68.23 2b7e n THR 21 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 2b7e s TRP 22 N -2.38 3.57 0.55 1.09 0.52 0.55 -5.07 118.94 117.77 2b7e s TRP 22 Ca 0.31 0.53 0.05 0.00 0.02 0.00 0.00 56.10 57.01 2b7e s TRP 22 Cb 0.18 -2.01 0.04 0.00 -1.15 0.00 0.00 33.47 30.53 2b7e s TRP 22 CO 0.38 0.65 0.38 -1.54 0.02 0.00 0.00 176.95 176.84 2b7e s SER 23 N -0.77 4.59 -0.05 2.95 1.04 -1.26 -4.91 113.70 115.29 2b7e s SER 23 Ca 0.15 -1.29 0.05 0.00 0.48 0.00 0.00 55.95 55.34 2b7e s SER 23 Cb -0.12 0.47 0.24 0.00 0.10 0.00 0.00 66.02 66.70 2b7e s SER 23 CO 0.04 -1.11 0.98 0.33 0.98 0.00 0.00 173.24 174.46 2b7e n PHE 24 N -1.75 0.53 -0.04 5.02 7.35 -1.26 -2.04 117.46 125.28 2b7e n PHE 24 Ca -0.03 -0.20 -0.18 0.00 -0.76 0.00 0.00 57.45 56.28 2b7e n PHE 24 Cb 0.64 -0.15 -0.14 0.00 0.35 0.00 0.00 39.48 40.19 2b7e n PHE 24 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2b7e n SER 25 N 0.19 1.81 0.07 -2.13 2.88 -1.26 -2.87 113.62 112.30 2b7e n SER 25 Ca 0.08 0.13 -0.06 0.00 -1.33 0.00 0.00 58.87 57.70 2b7e n SER 25 Cb 0.43 -0.53 0.12 0.00 -0.75 0.00 0.00 64.21 63.47 2b7e n SER 25 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2b7e h ARG 26 N 0.04 0.29 0.02 -1.46 2.43 -1.80 0.20 114.38 114.10 2b7e h ARG 26 Ca -0.46 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 58.52 2b7e h ARG 26 Cb 2.01 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 2b7e h ARG 26 CO 0.04 0.79 -0.01 0.82 -1.51 0.00 0.00 179.97 180.10 2b7e h ILE 27 N 0.22 1.17 -0.58 1.20 2.04 -1.60 0.22 117.51 120.18 2b7e h ILE 27 Ca -0.00 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 2b7e h ILE 27 Cb 1.08 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 2b7e h ILE 27 CO 0.09 0.15 0.27 0.40 0.00 0.00 0.00 178.15 179.06 2b7e h ILE 28 N -0.27 1.21 -0.29 -0.67 1.08 -1.38 0.64 117.51 117.83 2b7e h ILE 28 Ca -0.00 -0.61 -0.17 0.00 -0.39 0.00 0.00 64.86 63.69 2b7e h ILE 28 Cb 0.26 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.56 2b7e h ILE 28 CO 0.00 0.24 -0.48 -1.28 -0.69 0.00 0.00 178.15 175.95 2b7e h SER 29 N 0.78 0.86 0.00 1.72 0.87 -0.56 -3.22 113.55 114.01 2b7e h SER 29 Ca 0.20 -0.43 -0.12 0.00 -1.23 0.00 0.00 61.79 60.21 2b7e h SER 29 Cb 0.14 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 2b7e h SER 29 CO -0.02 1.20 -1.44 -0.62 -0.53 0.00 0.00 176.83 175.41 2b7e n GLU 30 N -4.01 1.60 0.05 2.24 -0.58 0.75 -4.46 120.64 116.23 2b7e n GLU 30 Ca -0.03 0.02 -0.01 0.00 -0.42 0.00 0.00 57.16 56.72 2b7e n GLU 30 Cb 0.58 -1.16 -0.07 0.00 -0.57 0.00 0.00 31.44 30.22 2b7e n GLU 30 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2b7e h LEU 31 N 0.00 0.00 -0.82 -4.62 4.07 0.17 0.17 115.31 114.28 2b7e h LEU 31 Ca -0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.79 2b7e h LEU 31 Cb 1.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.07 2b7e h LEU 31 CO -0.01 0.64 0.00 0.61 -1.08 0.00 0.00 178.44 178.60 2b7e n GLY 32 N 1.38 0.03 1.61 0.83 0.00 0.28 -4.09 105.19 105.23 2b7e n GLY 32 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2b7e n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2b7e n THR 33 N 0.13 0.20 -0.20 2.61 -2.24 -1.18 -4.89 114.28 108.71 2b7e n THR 33 Ca 0.09 0.07 0.01 0.00 -2.27 0.00 0.00 64.05 61.94 2b7e n THR 33 Cb 0.20 -0.91 0.11 0.00 -2.10 0.00 0.00 70.33 67.63 2b7e n THR 33 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2b7e h ARG 34 N 0.00 0.34 -3.66 -0.78 3.08 -0.86 -3.42 114.38 109.07 2b7e h ARG 34 Ca 0.00 -0.02 -0.30 0.00 0.07 0.00 0.00 59.98 59.73 2b7e h ARG 34 Cb 0.24 -0.08 -0.32 0.00 0.08 0.00 0.00 29.97 29.89 2b7e h ARG 34 CO 0.00 0.22 -0.73 0.34 -1.07 0.00 0.00 179.97 178.73 2b7e s ASP 35 N -5.35 0.17 0.00 7.04 -1.08 -1.26 -5.02 116.67 111.17 2b7e s ASP 35 Ca -0.13 0.01 0.13 0.00 -0.52 0.00 0.00 52.55 52.04 2b7e s ASP 35 Cb 0.18 -0.09 0.73 0.00 -1.46 0.00 0.00 42.92 42.27 2b7e s ASP 35 CO 0.74 -0.08 1.25 -2.65 0.52 0.00 0.00 175.17 174.96 2b7e n PRO 36 N 3.85 0.32 0.06 4.34 -0.02 -1.26 -3.16 135.00 139.13 2b7e n PRO 36 Ca -0.23 0.06 0.17 0.00 -2.02 0.00 0.00 63.50 61.48 2b7e n PRO 36 Cb 0.53 -1.50 0.66 0.00 -0.02 0.00 0.00 33.50 33.17 2b7e n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b7e h ARG 37 N 0.00 0.03 0.00 -0.52 3.08 -1.95 0.24 114.38 115.26 2b7e h ARG 37 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2b7e h ARG 37 Cb 0.05 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2b7e h ARG 37 CO 0.00 0.02 -0.08 -0.92 -1.07 0.00 0.00 179.97 177.92 2b7e h TYR 38 N 0.04 0.00 0.00 3.04 3.20 -1.74 -3.16 116.97 118.34 2b7e h TYR 38 Ca 0.19 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2b7e h TYR 38 Cb 0.73 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2b7e h TYR 38 CO -0.00 0.08 -1.79 0.91 -1.64 0.00 0.00 178.16 175.72 2b7e n TRP 39 N -3.25 0.00 -0.34 -3.82 7.02 0.62 -4.32 117.44 113.36 2b7e n TRP 39 Ca -0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.45 2b7e n TRP 39 Cb 0.32 -0.40 0.12 0.00 -2.42 0.00 0.00 31.31 28.94 2b7e n TRP 39 CO 0.00 0.00 0.00 0.52 -2.02 0.00 0.00 177.69 176.19 2b7e h MET 40 N 0.00 1.25 -5.96 -0.99 2.86 -0.89 -3.38 114.93 107.83 2b7e h MET 40 Ca 0.00 -0.11 -0.57 0.00 -2.06 0.00 0.00 59.70 56.96 2b7e h MET 40 Cb 0.79 -0.26 -0.06 0.00 0.06 0.00 0.00 31.60 32.13 2b7e h MET 40 CO 0.00 0.87 0.01 0.54 1.06 0.00 0.00 176.91 179.39 2b7e s VAL 41 N -5.94 5.07 0.32 -2.22 0.11 -1.25 -5.03 120.40 111.46 2b7e s VAL 41 Ca -0.13 1.28 -0.29 0.00 -2.93 0.00 0.00 61.98 59.91 2b7e s VAL 41 Cb 0.17 -3.96 -0.12 0.00 -1.53 0.00 0.00 36.38 30.95 2b7e s VAL 41 CO 0.82 0.30 1.54 -0.90 -3.33 0.00 0.00 175.10 173.53 2b7e n ASP 42 N 3.61 3.73 -4.55 3.54 5.75 -1.26 -4.81 116.55 122.56 2b7e n ASP 42 Ca -0.04 1.17 -0.38 0.00 -0.01 0.00 0.00 54.79 55.53 2b7e n ASP 42 Cb 0.51 -1.59 -0.03 0.00 -1.03 0.00 0.00 41.12 38.98 2b7e n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2b7e s ASP 43 N 0.27 5.85 -0.65 -1.12 2.15 -1.26 -4.90 116.67 117.01 2b7e s ASP 43 Ca 0.61 -0.49 -0.14 0.00 0.43 0.00 0.00 52.55 52.96 2b7e s ASP 43 Cb -0.50 -2.55 0.16 0.00 -0.30 0.00 0.00 42.92 39.73 2b7e s ASP 43 CO 0.54 -2.04 0.59 -0.62 -0.17 0.00 0.00 175.17 173.47 2b7e s ASP 44 N 5.75 6.35 0.51 -0.34 -1.08 -1.26 -4.94 116.67 121.67 2b7e s ASP 44 Ca 0.51 -2.18 0.28 0.00 -0.52 0.00 0.00 52.55 50.65 2b7e s ASP 44 Cb -0.07 -2.19 1.36 0.00 -1.46 0.00 0.00 42.92 40.56 2b7e s ASP 44 CO 0.09 -0.72 2.01 -0.65 0.52 0.00 0.00 175.17 176.42 2b7e h PRO 45 N 8.38 0.00 -0.25 4.34 0.11 -1.96 0.41 132.00 143.03 2b7e h PRO 45 Ca -0.13 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.81 2b7e h PRO 45 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2b7e h PRO 45 CO 0.91 0.13 -0.55 1.25 -0.21 0.00 0.00 178.00 179.53 2b7e h LEU 46 N 0.00 0.83 -0.08 2.35 7.12 -1.98 0.47 115.31 124.01 2b7e h LEU 46 Ca -0.00 -0.44 -0.25 0.00 0.13 0.00 0.00 57.88 57.32 2b7e h LEU 46 Cb 0.45 -0.24 0.01 0.00 -0.53 0.00 0.00 40.66 40.36 2b7e h LEU 46 CO 0.02 1.21 -0.99 -0.25 -0.13 0.00 0.00 178.44 178.30 2b7e h TRP 47 N 0.57 0.88 -0.55 1.25 7.01 -1.74 -0.93 115.95 122.44 2b7e h TRP 47 Ca 0.01 -0.47 -0.01 0.00 2.11 0.00 0.00 58.89 60.53 2b7e h TRP 47 Cb 1.13 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 28.06 2b7e h TRP 47 CO 0.06 1.30 0.30 0.87 -2.79 0.00 0.00 178.44 178.18 2b7e h LYS 48 N 0.34 0.75 0.25 2.65 1.79 0.03 0.28 116.57 122.67 2b7e h LYS 48 Ca -0.10 -0.07 -0.33 0.00 -2.18 0.00 0.00 60.65 57.96 2b7e h LYS 48 Cb 1.63 -0.16 0.04 0.00 -1.58 0.00 0.00 32.23 32.16 2b7e h LYS 48 CO 0.19 0.55 -1.47 0.87 -1.08 0.00 0.00 179.45 178.51 2b7e h LYS 49 N 0.76 0.52 -0.49 3.15 1.57 -0.06 -2.60 116.57 119.43 2b7e h LYS 49 Ca 0.20 -0.90 -0.09 0.00 -1.87 0.00 0.00 60.65 57.99 2b7e h LYS 49 Cb 0.01 0.33 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2b7e h LYS 49 CO -0.03 1.43 -0.06 0.93 -0.57 0.00 0.00 179.45 181.15 2b7e h GLU 50 N 0.11 0.87 -0.08 3.15 5.08 -0.79 0.17 114.58 123.10 2b7e h GLU 50 Ca -0.26 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 57.68 2b7e h GLU 50 Cb 2.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 2b7e h GLU 50 CO 0.26 0.90 -0.59 0.00 -1.00 0.00 0.00 179.01 178.59 2b7e h MET 51 N 0.79 0.25 -0.25 2.33 -0.00 -0.53 -0.37 114.93 117.15 2b7e h MET 51 Ca 0.14 -0.17 -0.17 0.00 -0.00 0.00 0.00 59.70 59.50 2b7e h MET 51 Cb 0.55 0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 32.17 2b7e h MET 51 CO 0.03 0.77 -0.53 0.35 -0.00 0.00 0.00 176.91 177.53 2b7e h PHE 52 N 0.19 0.89 -0.05 -0.10 3.57 -1.02 0.96 116.94 121.38 2b7e h PHE 52 Ca -0.00 -0.31 -0.07 0.00 3.53 0.00 0.00 57.97 61.12 2b7e h PHE 52 Cb 1.09 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2b7e h PHE 52 CO 0.02 1.09 -0.30 0.93 -2.23 0.00 0.00 178.31 177.82 2b7e h GLU 53 N 0.56 0.09 -0.17 1.11 4.39 -0.49 -1.72 114.58 118.35 2b7e h GLU 53 Ca 0.02 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.50 2b7e h GLU 53 Cb 1.10 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2b7e h GLU 53 CO 0.11 0.39 -0.66 -0.22 -1.16 0.00 0.00 179.01 177.46 2b7e h LYS 54 N 0.08 0.67 0.00 2.33 1.63 -0.65 -1.74 116.57 118.90 2b7e h LYS 54 Ca 0.01 -0.49 -0.05 0.00 -0.85 0.00 0.00 60.65 59.27 2b7e h LYS 54 Cb 0.58 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 2b7e h LYS 54 CO 0.04 1.11 -0.25 -0.92 -3.45 0.00 0.00 179.45 175.98 2b7e h TYR 55 N 0.49 0.00 0.06 1.91 3.20 -0.31 0.48 116.97 122.80 2b7e h TYR 55 Ca -0.02 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.54 2b7e h TYR 55 Cb 1.26 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.50 2b7e h TYR 55 CO 0.06 0.25 -1.69 -0.07 -1.64 0.00 0.00 178.16 175.08 2b7e h LEU 56 N 0.00 0.21 0.16 2.82 3.38 -1.24 -2.83 115.31 117.80 2b7e h LEU 56 Ca -0.00 -0.38 -0.33 0.00 0.09 0.00 0.00 57.88 57.25 2b7e h LEU 56 Cb 0.74 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2b7e h LEU 56 CO 0.03 1.33 -1.69 0.77 0.09 0.00 0.00 178.44 178.97 2b7e h SER 57 N 0.04 0.52 0.00 -0.43 4.64 -1.18 -3.43 113.55 113.71 2b7e h SER 57 Ca -0.29 -0.92 -0.04 0.00 -0.47 0.00 0.00 61.79 60.08 2b7e h SER 57 Cb 2.00 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.92 2b7e h SER 57 CO 0.11 1.75 -1.14 -3.20 -0.87 0.00 0.00 176.83 173.48 2b7e n ASN 58 N -3.68 3.02 0.00 4.97 2.85 0.11 -5.08 115.26 117.45 2b7e n ASN 58 Ca -0.26 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.21 2b7e n ASN 58 Cb 1.02 -0.05 0.00 0.00 1.24 0.00 0.00 39.78 41.99 2b7e n ASN 58 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01