#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 2.53 -0.08 4.61 0.00 -1.26 -2.97 120.51 123.33 2b7e n ALA 2 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 2b7e n ALA 2 Cb 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.29 2b7e n ALA 2 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2b7e h MET 3 N 0.00 0.00 -0.34 0.00 4.05 -2.04 -2.97 114.93 113.63 2b7e h MET 3 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2b7e h MET 3 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 2b7e h MET 3 CO 0.00 0.59 0.17 0.93 0.23 0.00 0.00 176.91 178.83 2b7e h GLU 4 N -1.00 0.49 0.00 0.39 3.07 -2.01 -2.46 114.58 113.06 2b7e h GLU 4 Ca -0.15 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.60 2b7e h GLU 4 Cb 0.88 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 2b7e h GLU 4 CO -0.09 0.43 -0.19 0.00 -1.40 0.00 0.00 179.01 177.76 2b7e h ALA 5 N 1.03 1.65 0.65 3.43 0.00 -1.72 -2.01 119.26 122.28 2b7e h ALA 5 Ca 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2b7e h ALA 5 Cb 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2b7e h ALA 5 CO -0.02 0.24 -0.31 1.49 0.00 0.00 0.00 179.25 180.65 2b7e h GLU 6 N 0.00 -0.84 -0.77 0.00 4.81 -1.28 0.13 114.58 116.63 2b7e h GLU 6 Ca -0.00 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2b7e h GLU 6 Cb 0.35 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 2b7e h GLU 6 CO 0.02 -0.54 0.48 -0.22 -0.73 0.00 0.00 179.01 178.02 2b7e h LYS 7 N -0.91 0.91 -0.75 1.92 1.63 -1.23 0.18 116.57 118.32 2b7e h LYS 7 Ca -0.09 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 2b7e h LYS 7 Cb 0.68 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 32.07 2b7e h LYS 7 CO 0.15 0.60 0.36 0.93 -3.45 0.00 0.00 179.45 178.04 2b7e h GLU 8 N 0.93 1.07 -0.67 1.90 4.39 -1.30 -0.23 114.58 120.66 2b7e h GLU 8 Ca 0.32 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 2b7e h GLU 8 Cb 0.05 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 2b7e h GLU 8 CO -0.12 0.82 0.13 0.35 -1.16 0.00 0.00 179.01 179.03 2b7e h PHE 9 N 1.06 1.15 -0.25 4.33 3.04 0.68 0.13 116.94 127.08 2b7e h PHE 9 Ca 0.26 -0.15 -0.16 0.00 3.98 0.00 0.00 57.97 61.90 2b7e h PHE 9 Cb 0.10 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.29 2b7e h PHE 9 CO 0.01 0.96 -0.50 0.82 -2.02 0.00 0.00 178.31 177.58 2b7e h ILE 10 N 1.03 1.30 -0.08 1.41 1.08 -0.19 0.97 117.51 123.03 2b7e h ILE 10 Ca 0.21 -1.71 -0.10 0.00 -0.39 0.00 0.00 64.86 62.87 2b7e h ILE 10 Cb 0.41 1.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.78 2b7e h ILE 10 CO 0.01 0.55 -0.40 0.74 -0.69 0.00 0.00 178.15 178.35 2b7e h THR 11 N 0.55 1.30 -0.09 -0.27 2.02 -0.84 -0.04 112.91 115.55 2b7e h THR 11 Ca 0.02 -1.48 -0.15 0.00 0.77 0.00 0.00 66.41 65.58 2b7e h THR 11 Cb 1.07 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 2b7e h THR 11 CO 0.10 0.44 -0.59 -0.03 0.37 0.00 0.00 175.52 175.81 2b7e h MET 12 N 0.14 0.29 -0.31 6.66 1.85 -0.35 -1.03 114.93 122.18 2b7e h MET 12 Ca 0.01 -0.19 -0.18 0.00 -0.61 0.00 0.00 59.70 58.73 2b7e h MET 12 Cb 0.78 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.84 2b7e h MET 12 CO 0.06 0.80 -0.52 -0.07 -0.40 0.00 0.00 176.91 176.77 2b7e h LEU 13 N 0.21 0.98 -1.09 3.39 3.38 -0.19 -1.45 115.31 120.55 2b7e h LEU 13 Ca -0.00 -0.51 -0.06 0.00 0.09 0.00 0.00 57.88 57.39 2b7e h LEU 13 Cb 1.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2b7e h LEU 13 CO 0.09 1.31 -0.02 0.11 0.09 0.00 0.00 178.44 180.03 2b7e h LYS 14 N 0.69 0.62 0.00 1.13 1.57 -0.81 -0.95 116.57 118.81 2b7e h LYS 14 Ca 0.02 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2b7e h LYS 14 Cb 1.13 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 2b7e h LYS 14 CO 0.12 0.66 -0.15 0.93 -0.57 0.00 0.00 179.45 180.43 2b7e h GLU 15 N 0.59 0.00 -0.49 3.15 5.08 -0.94 -2.47 114.58 119.49 2b7e h GLU 15 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2b7e h GLU 15 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2b7e h GLU 15 CO 0.02 0.15 0.00 0.09 -1.00 0.00 0.00 179.01 178.27 2b7e n ASN 16 N -3.32 3.52 -2.56 1.42 5.03 -0.57 -4.97 115.26 113.81 2b7e n ASN 16 Ca 0.00 -1.97 -0.19 0.00 0.87 0.00 0.00 54.58 53.29 2b7e n ASN 16 Cb 0.38 -0.32 -0.00 0.00 -1.02 0.00 0.00 39.78 38.81 2b7e n ASN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2b7e n GLN 17 N 1.40 -2.44 -2.13 3.52 1.13 -0.45 -4.92 117.38 113.49 2b7e n GLN 17 Ca 0.20 0.84 -0.39 0.00 -1.94 0.00 0.00 57.00 55.71 2b7e n GLN 17 Cb 0.58 -5.52 -0.01 0.00 0.11 0.00 0.00 30.24 25.40 2b7e n GLN 17 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2b7e s VAL 18 N -2.93 2.80 0.15 5.09 0.11 -1.00 -5.02 120.40 119.60 2b7e s VAL 18 Ca 0.07 0.68 -0.01 0.00 -2.93 0.00 0.00 61.98 59.79 2b7e s VAL 18 Cb -0.03 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 2b7e s VAL 18 CO 0.09 0.07 0.21 -0.67 -3.33 0.00 0.00 175.10 171.46 2b7e n ASP 19 N -0.07 -0.59 0.28 3.54 2.03 -1.26 -4.90 116.55 115.59 2b7e n ASP 19 Ca 0.05 -1.84 0.18 0.00 0.52 0.00 0.00 54.79 53.70 2b7e n ASP 19 Cb 0.45 1.10 0.97 0.00 -0.72 0.00 0.00 41.12 42.92 2b7e n ASP 19 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2b7e h SER 20 N 0.87 0.00 0.12 1.67 4.64 -1.93 0.10 113.55 119.02 2b7e h SER 20 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2b7e h SER 20 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2b7e h SER 20 CO 0.16 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.47 2b7e n THR 21 N -3.48 0.04 -3.06 2.95 -2.24 -1.26 -4.76 114.28 102.47 2b7e n THR 21 Ca -0.01 0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2b7e n THR 21 Cb 0.20 -0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 67.80 2b7e n THR 21 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2b7e s TRP 22 N -2.14 3.63 0.35 4.78 0.52 0.35 -5.09 118.94 121.33 2b7e s TRP 22 Ca 0.38 1.43 0.07 0.00 0.02 0.00 0.00 56.10 57.99 2b7e s TRP 22 Cb 0.19 -2.65 -0.02 0.00 -1.15 0.00 0.00 33.47 29.84 2b7e s TRP 22 CO 0.34 0.30 0.40 -1.54 0.02 0.00 0.00 176.95 176.47 2b7e s SER 23 N -1.70 5.62 -0.05 2.95 1.04 -1.26 -4.97 113.70 115.34 2b7e s SER 23 Ca 0.45 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.58 2b7e s SER 23 Cb -0.16 -1.05 0.27 0.00 0.10 0.00 0.00 66.02 65.18 2b7e s SER 23 CO 0.21 -0.44 1.06 0.33 0.98 0.00 0.00 173.24 175.38 2b7e n PHE 24 N -1.54 0.60 -0.01 5.02 7.35 -1.26 -1.92 117.46 125.69 2b7e n PHE 24 Ca -0.00 -0.23 -0.20 0.00 -0.76 0.00 0.00 57.45 56.27 2b7e n PHE 24 Cb 0.59 -0.15 -0.14 0.00 0.35 0.00 0.00 39.48 40.13 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 0.25 1.95 0.02 -2.13 2.88 -1.26 -3.03 113.62 112.30 2b7e n SER 25 Ca 0.10 0.19 -0.03 0.00 -1.33 0.00 0.00 58.87 57.79 2b7e n SER 25 Cb 0.44 -0.71 0.20 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.06 0.47 -0.47 -1.46 2.43 -1.78 0.38 114.38 114.01 2b7e h ARG 26 Ca -0.43 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 58.48 2b7e h ARG 26 Cb 2.02 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 31.53 2b7e h ARG 26 CO 0.07 0.70 -0.03 0.82 -1.51 0.00 0.00 179.97 180.01 2b7e h ILE 27 N 0.41 1.27 0.06 1.20 2.04 -1.59 0.33 117.51 121.23 2b7e h ILE 27 Ca 0.06 -1.12 -0.24 0.00 1.00 0.00 0.00 64.86 64.57 2b7e h ILE 27 Cb 0.68 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2b7e h ILE 27 CO 0.05 0.39 -1.07 0.40 0.00 0.00 0.00 178.15 177.92 2b7e h ILE 28 N 0.70 1.54 0.15 -0.67 2.04 -1.42 -0.38 117.51 119.47 2b7e h ILE 28 Ca 0.13 -2.98 -0.35 0.00 1.00 0.00 0.00 64.86 62.66 2b7e h ILE 28 Cb 0.55 2.76 -0.00 0.00 -0.74 0.00 0.00 36.82 39.39 2b7e h ILE 28 CO 0.03 0.87 -1.82 0.77 0.00 0.00 0.00 178.15 178.00 2b7e h SER 29 N 0.08 0.50 0.00 1.72 4.64 -0.13 -3.32 113.55 117.03 2b7e h SER 29 Ca -0.08 -0.93 -0.25 0.00 -0.47 0.00 0.00 61.79 60.06 2b7e h SER 29 Cb 1.77 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 63.65 2b7e h SER 29 CO 0.17 1.80 -1.96 -0.62 -0.87 0.00 0.00 176.83 175.35 2b7e n GLU 30 N -3.60 0.91 0.11 4.77 -0.58 0.10 -4.31 120.64 118.04 2b7e n GLU 30 Ca -0.28 0.06 -0.18 0.00 -0.42 0.00 0.00 57.16 56.34 2b7e n GLU 30 Cb 1.04 -1.34 -0.14 0.00 -0.57 0.00 0.00 31.44 30.42 2b7e n GLU 30 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2b7e h LEU 31 N 0.00 0.52 -1.44 -4.62 5.85 -1.00 0.62 115.31 115.24 2b7e h LEU 31 Ca -0.38 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 57.75 2b7e h LEU 31 Cb 1.67 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 2b7e h LEU 31 CO -0.03 1.45 -0.11 1.23 -0.34 0.00 0.00 178.44 180.63 2b7e h GLY 32 N 1.26 0.00 0.00 3.75 0.00 -1.17 -3.07 103.07 103.84 2b7e h GLY 32 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.88 2b7e h GLY 32 CO 0.22 0.00 -2.22 -1.30 0.00 0.00 0.00 176.54 173.24 2b7e n THR 33 N -3.30 1.06 -0.02 4.70 -2.24 -1.08 -4.49 114.28 108.91 2b7e n THR 33 Ca -0.00 -0.74 -0.11 0.00 -2.27 0.00 0.00 64.05 60.93 2b7e n THR 33 Cb 0.34 -0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.17 -3.71 -0.78 -0.00 0.25 -3.45 114.38 106.87 2b7e h ARG 34 Ca -0.42 -0.03 -0.29 0.00 -0.50 0.00 0.00 59.98 58.74 2b7e h ARG 34 Cb 1.94 -0.03 -0.32 0.00 0.00 0.00 0.00 29.97 31.57 2b7e h ARG 34 CO 0.02 0.28 -0.73 0.34 0.00 0.00 0.00 179.97 179.88 2b7e s ASP 35 N -5.51 0.19 0.10 7.04 -1.08 -1.16 -5.02 116.67 111.23 2b7e s ASP 35 Ca -0.14 -0.00 0.16 0.00 -0.52 0.00 0.00 52.55 52.05 2b7e s ASP 35 Cb 0.06 -0.09 0.71 0.00 -1.46 0.00 0.00 42.92 42.14 2b7e s ASP 35 CO 0.69 -0.06 1.51 -2.65 0.52 0.00 0.00 175.17 175.18 2b7e n PRO 36 N 3.72 0.07 0.32 4.34 -0.02 -1.26 -2.75 135.00 139.43 2b7e n PRO 36 Ca -0.22 0.35 0.20 0.00 -2.02 0.00 0.00 63.50 61.82 2b7e n PRO 36 Cb 0.54 -1.65 1.06 0.00 -0.02 0.00 0.00 33.50 33.43 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 0.00 0.00 -0.52 3.08 -1.95 0.40 114.38 115.39 2b7e h ARG 37 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2b7e h ARG 37 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 2b7e h ARG 37 CO 0.00 0.01 -0.07 -0.92 -1.07 0.00 0.00 179.97 177.92 2b7e h TYR 38 N 0.00 0.00 0.00 3.04 3.20 -1.81 -3.05 116.97 118.35 2b7e h TYR 38 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2b7e h TYR 38 Cb 0.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.39 2b7e h TYR 38 CO 0.00 0.07 -1.68 0.91 -1.64 0.00 0.00 178.16 175.82 2b7e n TRP 39 N -3.25 0.00 -0.25 -3.82 7.02 0.09 -4.29 117.44 112.94 2b7e n TRP 39 Ca -0.00 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.57 2b7e n TRP 39 Cb 0.29 -0.35 0.35 0.00 -2.42 0.00 0.00 31.31 29.18 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 0.74 -5.49 -0.99 2.86 -1.33 -3.37 114.93 107.35 2b7e h MET 40 Ca 0.00 -0.04 -0.63 0.00 -2.06 0.00 0.00 59.70 56.97 2b7e h MET 40 Cb 0.80 -0.17 -0.09 0.00 0.06 0.00 0.00 31.60 32.20 2b7e h MET 40 CO 0.00 0.49 -0.44 0.54 1.06 0.00 0.00 176.91 178.55 2b7e s VAL 41 N -5.71 5.41 0.44 -2.22 0.11 -1.26 -5.01 120.40 112.16 2b7e s VAL 41 Ca -0.10 0.29 -0.26 0.00 -2.93 0.00 0.00 61.98 58.98 2b7e s VAL 41 Cb 0.21 -3.48 -0.09 0.00 -1.53 0.00 0.00 36.38 31.49 2b7e s VAL 41 CO 0.79 0.51 1.44 -0.90 -3.33 0.00 0.00 175.10 173.60 2b7e n ASP 42 N 2.84 3.38 -4.55 3.54 5.75 -1.26 -4.81 116.55 121.45 2b7e n ASP 42 Ca -0.17 1.14 -0.41 0.00 -0.01 0.00 0.00 54.79 55.34 2b7e n ASP 42 Cb 0.53 -1.61 -0.03 0.00 -1.03 0.00 0.00 41.12 38.99 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 -0.42 6.09 -0.49 -1.12 2.15 -1.26 -4.93 116.67 116.68 2b7e s ASP 43 Ca 0.60 -0.48 -0.12 0.00 0.43 0.00 0.00 52.55 52.98 2b7e s ASP 43 Cb -0.45 -2.56 0.11 0.00 -0.30 0.00 0.00 42.92 39.72 2b7e s ASP 43 CO 0.58 -1.87 0.40 -0.62 -0.17 0.00 0.00 175.17 173.49 2b7e s ASP 44 N 4.38 5.92 0.52 -0.34 -1.08 -1.26 -4.96 116.67 119.85 2b7e s ASP 44 Ca 0.40 -1.76 0.24 0.00 -0.52 0.00 0.00 52.55 50.91 2b7e s ASP 44 Cb -0.08 -2.10 1.42 0.00 -1.46 0.00 0.00 42.92 40.70 2b7e s ASP 44 CO 0.13 -0.73 2.10 -0.65 0.52 0.00 0.00 175.17 176.54 2b7e h PRO 45 N 8.64 0.00 -0.01 4.34 0.11 -1.98 0.29 132.00 143.39 2b7e h PRO 45 Ca -0.25 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.60 2b7e h PRO 45 Cb 1.09 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.21 2b7e h PRO 45 CO 0.92 0.10 -1.01 1.25 -0.21 0.00 0.00 178.00 179.05 2b7e h LEU 46 N 0.00 0.84 -0.22 2.35 7.12 -1.98 -1.13 115.31 122.28 2b7e h LEU 46 Ca -0.00 -0.66 -0.22 0.00 0.13 0.00 0.00 57.88 57.13 2b7e h LEU 46 Cb 0.23 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 2b7e h LEU 46 CO 0.01 1.46 -0.85 -0.25 -0.13 0.00 0.00 178.44 178.69 2b7e h TRP 47 N 0.37 0.76 -0.22 1.25 7.01 -1.80 0.15 115.95 123.47 2b7e h TRP 47 Ca -0.12 -0.37 -0.02 0.00 2.11 0.00 0.00 58.89 60.49 2b7e h TRP 47 Cb 1.66 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 28.60 2b7e h TRP 47 CO 0.09 1.17 0.03 0.87 -2.79 0.00 0.00 178.44 177.82 2b7e h LYS 48 N 0.34 0.31 -0.19 2.65 6.56 -0.45 0.39 116.57 126.18 2b7e h LYS 48 Ca -0.06 -0.04 -0.19 0.00 -1.06 0.00 0.00 60.65 59.29 2b7e h LYS 48 Cb 1.46 -0.06 0.01 0.00 -0.57 0.00 0.00 32.23 33.07 2b7e h LYS 48 CO 0.16 0.31 -0.64 0.87 -2.06 0.00 0.00 179.45 178.08 2b7e h LYS 49 N 0.31 0.76 -0.50 3.15 1.57 -0.98 -1.67 116.57 119.20 2b7e h LYS 49 Ca 0.07 -0.57 -0.08 0.00 -1.87 0.00 0.00 60.65 58.20 2b7e h LYS 49 Cb 0.16 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2b7e h LYS 49 CO -0.00 1.19 0.00 0.93 -0.57 0.00 0.00 179.45 181.00 2b7e h GLU 50 N 0.49 0.88 0.00 3.15 5.08 0.02 0.16 114.58 124.37 2b7e h GLU 50 Ca -0.03 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 2b7e h GLU 50 Cb 1.27 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2b7e h GLU 50 CO 0.14 0.91 -0.17 0.00 -1.00 0.00 0.00 179.01 178.89 2b7e h MET 51 N 0.75 0.00 -0.03 2.33 -0.00 -0.33 -1.47 114.93 116.18 2b7e h MET 51 Ca 0.14 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 59.61 2b7e h MET 51 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.12 2b7e h MET 51 CO 0.02 0.17 -0.93 0.35 -0.00 0.00 0.00 176.91 176.53 2b7e h PHE 52 N 0.00 0.81 0.00 -0.10 3.57 -0.76 0.31 116.94 120.77 2b7e h PHE 52 Ca -0.00 -0.42 -0.06 0.00 3.53 0.00 0.00 57.97 61.02 2b7e h PHE 52 Cb 0.95 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 2b7e h PHE 52 CO 0.00 1.24 -0.29 0.93 -2.23 0.00 0.00 178.31 177.96 2b7e h GLU 53 N 0.33 0.00 -0.18 1.11 4.39 -0.46 -0.47 114.58 119.30 2b7e h GLU 53 Ca -0.09 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.42 2b7e h GLU 53 Cb 1.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 2b7e h GLU 53 CO 0.17 0.29 -0.67 -0.22 -1.16 0.00 0.00 179.01 177.42 2b7e h LYS 54 N 0.00 0.71 0.00 2.33 1.63 -1.05 0.48 116.57 120.67 2b7e h LYS 54 Ca -0.00 -0.52 -0.03 0.00 -0.85 0.00 0.00 60.65 59.24 2b7e h LYS 54 Cb 0.54 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 2b7e h LYS 54 CO 0.04 1.14 -0.16 -0.92 -3.45 0.00 0.00 179.45 176.09 2b7e h TYR 55 N 0.51 0.00 0.03 1.91 3.20 -0.17 0.57 116.97 123.02 2b7e h TYR 55 Ca -0.02 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.51 2b7e h TYR 55 Cb 1.28 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.50 2b7e h TYR 55 CO 0.07 0.16 -2.01 1.28 -1.64 0.00 0.00 178.16 176.02 2b7e n LEU 56 N -3.34 1.29 0.01 2.82 4.77 -0.26 -2.68 117.00 119.61 2b7e n LEU 56 Ca 0.00 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 2b7e n LEU 56 Cb 0.39 -0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 2b7e n LEU 56 CO 0.32 0.58 -0.43 -1.28 -1.33 0.00 0.00 177.39 175.24 2b7e h SER 57 N 0.02 0.13 0.00 -1.43 0.87 -0.78 -3.43 113.55 108.93 2b7e h SER 57 Ca -0.41 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 59.89 2b7e h SER 57 Cb 2.06 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.97 2b7e h SER 57 CO 0.05 1.20 -0.71 -3.20 -0.53 0.00 0.00 176.83 173.65 2b7e n ASN 58 N -3.22 1.48 0.00 6.23 4.05 0.19 -5.06 115.26 118.93 2b7e n ASN 58 Ca -0.16 0.23 0.00 0.00 0.45 0.00 0.00 54.58 55.10 2b7e n ASN 58 Cb 1.03 -0.53 0.00 0.00 1.23 0.00 0.00 39.78 41.51 2b7e n ASN 58 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07