#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 -0.89 -0.10 4.61 0.00 -1.26 -4.91 120.51 117.96 2b7e n ALA 2 Ca 0.00 0.27 -0.24 0.00 0.00 0.00 0.00 53.44 53.47 2b7e n ALA 2 Cb 0.00 -3.64 -0.12 0.00 0.00 0.00 0.00 19.45 15.70 2b7e n ALA 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2b7e n MET 3 N -3.75 0.63 -0.05 0.00 1.56 -1.26 -3.36 117.12 110.89 2b7e n MET 3 Ca -0.10 0.31 -0.11 0.00 -0.27 0.00 0.00 57.70 57.53 2b7e n MET 3 Cb 0.61 -1.60 -0.06 0.00 2.15 0.00 0.00 33.22 34.32 2b7e n MET 3 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 2b7e h GLU 4 N -0.56 0.26 -0.68 2.12 5.08 -2.00 -1.38 114.58 117.42 2b7e h GLU 4 Ca -0.54 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 57.77 2b7e h GLU 4 Cb 1.69 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.87 2b7e h GLU 4 CO -0.20 0.43 0.44 0.00 -1.00 0.00 0.00 179.01 178.68 2b7e h ALA 5 N 0.82 0.88 -0.03 3.43 0.00 -1.98 -2.53 119.26 119.84 2b7e h ALA 5 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2b7e h ALA 5 Cb 0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2b7e h ALA 5 CO 0.00 0.24 0.01 1.49 0.00 0.00 0.00 179.25 180.99 2b7e h GLU 6 N 0.88 0.05 -0.44 0.00 4.81 -1.53 -1.12 114.58 117.22 2b7e h GLU 6 Ca 0.26 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.57 2b7e h GLU 6 Cb -0.04 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.24 2b7e h GLU 6 CO -0.08 0.23 -0.19 -0.22 -0.73 0.00 0.00 179.01 178.02 2b7e h LYS 7 N -0.13 -0.09 -0.10 1.92 3.64 -1.01 0.17 116.57 120.97 2b7e h LYS 7 Ca 0.01 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.25 2b7e h LYS 7 Cb 0.19 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2b7e h LYS 7 CO -0.00 -0.06 -0.56 0.93 -2.27 0.00 0.00 179.45 177.49 2b7e h GLU 8 N -0.10 0.32 -0.74 1.90 5.08 -1.43 -1.89 114.58 117.72 2b7e h GLU 8 Ca 0.21 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2b7e h GLU 8 Cb 0.43 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2b7e h GLU 8 CO -0.51 0.79 0.38 0.35 -1.00 0.00 0.00 179.01 179.03 2b7e h PHE 9 N 0.24 1.02 -0.15 4.33 3.04 0.10 0.18 116.94 125.70 2b7e h PHE 9 Ca 0.00 -0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.75 2b7e h PHE 9 Cb 1.06 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 2b7e h PHE 9 CO 0.03 0.72 -0.61 0.82 -2.02 0.00 0.00 178.31 177.25 2b7e h ILE 10 N 1.04 1.34 -0.43 1.41 1.08 -0.51 -2.40 117.51 119.03 2b7e h ILE 10 Ca 0.26 -1.91 -0.11 0.00 -0.39 0.00 0.00 64.86 62.71 2b7e h ILE 10 Cb 0.06 1.89 -0.01 0.00 -3.07 0.00 0.00 36.82 35.68 2b7e h ILE 10 CO -0.04 0.59 -0.16 0.74 -0.69 0.00 0.00 178.15 178.59 2b7e h THR 11 N 0.38 1.28 0.00 -0.27 2.02 -0.50 -1.86 112.91 113.96 2b7e h THR 11 Ca -0.01 -1.29 -0.10 0.00 0.77 0.00 0.00 66.41 65.78 2b7e h THR 11 Cb 1.17 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 2b7e h THR 11 CO 0.11 0.44 -0.47 0.00 0.37 0.00 0.00 175.52 175.97 2b7e h MET 12 N 0.69 0.00 -0.35 6.66 -0.00 -0.68 -0.18 114.93 121.07 2b7e h MET 12 Ca 0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.68 2b7e h MET 12 Cb 0.71 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.30 2b7e h MET 12 CO 0.05 0.47 -0.29 -0.07 -0.00 0.00 0.00 176.91 177.07 2b7e h LEU 13 N 0.00 0.76 -0.49 -0.10 -0.00 -1.14 0.03 115.31 114.38 2b7e h LEU 13 Ca -0.00 -0.30 -0.15 0.00 -0.00 0.00 0.00 57.88 57.42 2b7e h LEU 13 Cb 0.88 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 2b7e h LEU 13 CO 0.06 1.01 -0.40 0.11 -0.00 0.00 0.00 178.44 179.22 2b7e h LYS 14 N 0.63 0.81 0.00 1.13 1.57 -0.75 -2.19 116.57 117.77 2b7e h LYS 14 Ca 0.08 -0.42 -0.07 0.00 -1.87 0.00 0.00 60.65 58.37 2b7e h LYS 14 Cb 0.81 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2b7e h LYS 14 CO 0.07 1.06 -0.31 0.93 -0.57 0.00 0.00 179.45 180.62 2b7e h GLU 15 N 0.66 0.00 -0.39 3.15 5.08 -0.76 -2.40 114.58 119.92 2b7e h GLU 15 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2b7e h GLU 15 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2b7e h GLU 15 CO 0.09 0.31 0.00 0.09 -1.00 0.00 0.00 179.01 178.50 2b7e n ASN 16 N -3.81 2.14 -2.59 1.42 3.02 -0.03 -4.91 115.26 110.50 2b7e n ASN 16 Ca -0.01 -1.98 -0.19 0.00 -0.03 0.00 0.00 54.58 52.37 2b7e n ASN 16 Cb 0.40 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 0.66 -2.55 -2.42 3.52 1.13 -0.91 -4.91 117.38 111.91 2b7e n GLN 17 Ca 0.14 0.87 -0.42 0.00 -1.94 0.00 0.00 57.00 55.65 2b7e n GLN 17 Cb 0.34 -5.57 -0.03 0.00 0.11 0.00 0.00 30.24 25.10 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 -2.97 4.03 0.00 5.09 1.01 -0.84 -5.03 120.40 121.70 2b7e s VAL 18 Ca 0.08 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.52 2b7e s VAL 18 Cb -0.04 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2b7e s VAL 18 CO 0.10 0.10 0.00 0.47 0.00 0.00 0.00 175.10 175.77 2b7e n ASP 19 N 4.08 1.94 0.00 3.32 8.00 -1.26 -4.85 116.55 127.78 2b7e n ASP 19 Ca 0.09 -0.26 0.13 0.00 0.71 0.00 0.00 54.79 55.46 2b7e n ASP 19 Cb 0.46 0.00 0.64 0.00 -0.02 0.00 0.00 41.12 42.20 2b7e n ASP 19 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2b7e n SER 20 N -0.27 0.00 0.07 -2.24 3.41 -1.26 -2.87 113.62 110.46 2b7e n SER 20 Ca 0.00 0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.76 2b7e n SER 20 Cb 0.00 -0.32 0.41 0.00 -0.26 0.00 0.00 64.21 64.04 2b7e n SER 20 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2b7e n THR 21 N -1.32 0.40 -2.45 6.66 -2.24 -1.26 -4.84 114.28 109.23 2b7e n THR 21 Ca 0.11 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 2b7e n THR 21 Cb 0.22 -0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 67.96 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 -3.08 3.52 0.36 4.78 0.52 -1.14 -5.05 118.94 118.85 2b7e s TRP 22 Ca 0.11 1.54 -0.05 0.00 0.02 0.00 0.00 56.10 57.71 2b7e s TRP 22 Cb 0.14 -3.34 -0.05 0.00 -1.15 0.00 0.00 33.47 29.07 2b7e s TRP 22 CO 0.61 -0.85 0.65 0.45 0.02 0.00 0.00 176.95 177.83 2b7e s SER 23 N -0.10 6.40 -0.03 2.95 0.15 -1.26 -4.96 113.70 116.84 2b7e s SER 23 Ca 0.50 0.81 0.03 0.00 0.70 0.00 0.00 55.95 57.99 2b7e s SER 23 Cb -0.31 -2.19 0.14 0.00 -1.71 0.00 0.00 66.02 61.95 2b7e s SER 23 CO 0.36 -0.34 0.84 0.33 1.20 0.00 0.00 173.24 175.64 2b7e n PHE 24 N -1.43 0.30 -0.05 3.44 7.35 -1.26 -1.86 117.46 123.96 2b7e n PHE 24 Ca -0.01 -0.11 -0.21 0.00 -0.76 0.00 0.00 57.45 56.36 2b7e n PHE 24 Cb 0.55 -0.12 -0.13 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 0.03 2.05 0.01 -2.13 2.88 -1.26 -2.96 113.62 112.25 2b7e n SER 25 Ca 0.05 0.16 -0.01 0.00 -1.33 0.00 0.00 58.87 57.73 2b7e n SER 25 Cb 0.32 -0.77 0.27 0.00 -0.75 0.00 0.00 64.21 63.28 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 -0.13 0.48 0.59 -1.46 2.43 -1.77 0.18 114.38 114.70 2b7e h ARG 26 Ca -0.47 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 58.54 2b7e h ARG 26 Cb 1.90 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 31.40 2b7e h ARG 26 CO -0.02 0.59 -0.28 0.82 -1.51 0.00 0.00 179.97 179.57 2b7e h ILE 27 N 0.45 0.36 -0.86 1.20 2.04 -1.63 0.24 117.51 119.31 2b7e h ILE 27 Ca 0.09 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2b7e h ILE 27 Cb 0.46 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 2b7e h ILE 27 CO 0.03 0.03 0.57 0.40 0.00 0.00 0.00 178.15 179.17 2b7e h ILE 28 N -0.94 1.19 0.20 -0.67 1.08 -1.39 0.23 117.51 117.22 2b7e h ILE 28 Ca -0.08 -0.39 -0.33 0.00 -0.39 0.00 0.00 64.86 63.67 2b7e h ILE 28 Cb 0.65 -0.04 0.02 0.00 -3.07 0.00 0.00 36.82 34.38 2b7e h ILE 28 CO 0.13 0.21 -1.54 -1.28 -0.69 0.00 0.00 178.15 174.98 2b7e h SER 29 N 1.14 0.68 0.00 1.72 0.87 -0.61 -2.95 113.55 114.39 2b7e h SER 29 Ca 0.32 -0.82 -0.37 0.00 -1.23 0.00 0.00 61.79 59.70 2b7e h SER 29 Cb -0.08 -0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 61.59 2b7e h SER 29 CO -0.08 1.66 -2.40 -0.62 -0.53 0.00 0.00 176.83 174.86 2b7e n GLU 30 N -3.62 0.70 0.19 2.24 -0.58 0.84 -3.99 120.64 116.42 2b7e n GLU 30 Ca -0.18 0.07 0.12 0.00 -0.42 0.00 0.00 57.16 56.75 2b7e n GLU 30 Cb 1.08 -1.51 0.13 0.00 -0.57 0.00 0.00 31.44 30.57 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 0.00 -4.62 4.07 -0.57 0.66 115.31 114.85 2b7e h LEU 31 Ca -0.55 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.41 2b7e h LEU 31 Cb 2.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.78 2b7e h LEU 31 CO -0.03 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.95 2b7e n GLY 32 N 1.12 -1.31 0.00 0.83 0.00 -1.06 -4.09 105.19 100.67 2b7e n GLY 32 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.34 0.00 0.07 2.61 -2.24 -0.88 -4.80 114.28 107.69 2b7e n THR 33 Ca 0.12 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.79 2b7e n THR 33 Cb 0.26 -0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 67.82 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 -0.24 -2.50 -0.78 3.08 0.16 -3.45 114.38 110.66 2b7e h ARG 34 Ca 0.00 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 2b7e h ARG 34 Cb 0.65 0.05 -0.20 0.00 0.08 0.00 0.00 29.97 30.55 2b7e h ARG 34 CO 0.00 -0.16 -0.04 0.16 -1.07 0.00 0.00 179.97 178.86 2b7e s ASP 35 N -4.99 -0.44 0.00 7.04 1.47 -1.26 -5.04 116.67 113.44 2b7e s ASP 35 Ca -0.14 0.48 0.06 0.00 1.18 0.00 0.00 52.55 54.12 2b7e s ASP 35 Cb 0.08 0.50 0.35 0.00 -0.34 0.00 0.00 42.92 43.51 2b7e s ASP 35 CO 0.66 -0.50 0.75 -2.65 0.68 0.00 0.00 175.17 174.11 2b7e n PRO 36 N 1.26 0.34 -0.07 2.11 -0.02 -1.26 -3.38 135.00 133.98 2b7e n PRO 36 Ca -0.20 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.33 2b7e n PRO 36 Cb 0.56 -1.28 0.39 0.00 -0.02 0.00 0.00 33.50 33.16 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 0.63 0.00 -0.52 3.08 -1.96 0.70 114.38 116.31 2b7e h ARG 37 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2b7e h ARG 37 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2b7e h ARG 37 CO 0.00 0.42 0.00 -0.92 -1.07 0.00 0.00 179.97 178.40 2b7e h TYR 38 N 0.65 0.00 0.00 3.04 3.20 -1.75 -2.30 116.97 119.81 2b7e h TYR 38 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 2b7e h TYR 38 Cb 0.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2b7e h TYR 38 CO -0.00 0.00 -1.81 0.91 -1.64 0.00 0.00 178.16 175.61 2b7e n TRP 39 N -2.65 0.00 0.09 -3.82 5.03 -0.10 -4.26 117.44 111.72 2b7e n TRP 39 Ca 0.01 0.00 -0.13 0.00 3.03 0.00 0.00 57.50 60.41 2b7e n TRP 39 Cb 0.25 -0.41 -0.08 0.00 -1.03 0.00 0.00 31.31 30.03 2b7e n TRP 39 CO 0.00 0.00 0.00 0.52 -0.03 0.00 0.00 177.69 178.18 2b7e h MET 40 N 0.00 -0.20 -5.87 -0.99 2.86 -0.39 -3.38 114.93 106.96 2b7e h MET 40 Ca 0.00 0.01 -0.61 0.00 -2.06 0.00 0.00 59.70 57.05 2b7e h MET 40 Cb 0.86 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 32.45 2b7e h MET 40 CO 0.00 0.04 0.43 0.54 1.06 0.00 0.00 176.91 178.98 2b7e s VAL 41 N -5.32 4.69 0.52 -2.22 0.11 -1.03 -5.01 120.40 112.14 2b7e s VAL 41 Ca -0.15 0.94 -0.22 0.00 -2.93 0.00 0.00 61.98 59.62 2b7e s VAL 41 Cb 0.04 -4.25 -0.06 0.00 -1.53 0.00 0.00 36.38 30.58 2b7e s VAL 41 CO 0.63 -0.48 1.29 -0.90 -3.33 0.00 0.00 175.10 172.31 2b7e n ASP 42 N 6.53 2.44 -4.55 3.54 5.75 -1.26 -4.78 116.55 124.21 2b7e n ASP 42 Ca 0.04 0.99 -0.40 0.00 -0.01 0.00 0.00 54.79 55.41 2b7e n ASP 42 Cb 0.48 -1.53 -0.03 0.00 -1.03 0.00 0.00 41.12 39.01 2b7e n ASP 42 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2b7e s ASP 43 N -0.84 6.13 -0.51 -1.12 -4.77 -1.26 -4.92 116.67 109.38 2b7e s ASP 43 Ca 0.69 -0.66 -0.12 0.00 -3.30 0.00 0.00 52.55 49.16 2b7e s ASP 43 Cb -0.44 -2.56 0.13 0.00 -1.09 0.00 0.00 42.92 38.96 2b7e s ASP 43 CO 0.51 -1.84 0.42 -0.62 0.70 0.00 0.00 175.17 174.35 2b7e s ASP 44 N 4.64 5.91 0.56 2.11 -1.08 -1.26 -4.97 116.67 122.59 2b7e s ASP 44 Ca 0.42 -1.90 0.29 0.00 -0.52 0.00 0.00 52.55 50.84 2b7e s ASP 44 Cb -0.06 -2.09 1.67 0.00 -1.46 0.00 0.00 42.92 40.98 2b7e s ASP 44 CO 0.08 -0.75 2.17 -0.65 0.52 0.00 0.00 175.17 176.54 2b7e h PRO 45 N 8.58 0.00 0.24 4.34 0.11 -1.97 0.66 132.00 143.96 2b7e h PRO 45 Ca -0.23 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.54 2b7e h PRO 45 Cb 1.08 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.22 2b7e h PRO 45 CO 0.92 0.06 -1.50 1.25 -0.21 0.00 0.00 178.00 178.52 2b7e h LEU 46 N 0.00 0.79 -0.17 2.35 7.12 -1.98 -2.04 115.31 121.38 2b7e h LEU 46 Ca -0.00 -0.88 -0.23 0.00 0.13 0.00 0.00 57.88 56.90 2b7e h LEU 46 Cb 0.17 -0.26 0.01 0.00 -0.53 0.00 0.00 40.66 40.05 2b7e h LEU 46 CO 0.01 1.69 -0.88 -0.25 -0.13 0.00 0.00 178.44 178.88 2b7e h TRP 47 N 0.14 0.84 -0.20 1.25 7.01 -1.81 -0.53 115.95 122.64 2b7e h TRP 47 Ca -0.26 -0.42 -0.02 0.00 2.11 0.00 0.00 58.89 60.30 2b7e h TRP 47 Cb 2.15 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 29.09 2b7e h TRP 47 CO 0.12 1.23 0.03 0.87 -2.79 0.00 0.00 178.44 177.90 2b7e h LYS 48 N 0.37 0.28 0.10 2.65 6.56 0.23 0.38 116.57 127.15 2b7e h LYS 48 Ca -0.08 -0.04 -0.29 0.00 -1.06 0.00 0.00 60.65 59.19 2b7e h LYS 48 Cb 1.51 -0.05 0.03 0.00 -0.57 0.00 0.00 32.23 33.14 2b7e h LYS 48 CO 0.17 0.29 -1.21 0.87 -2.06 0.00 0.00 179.45 177.50 2b7e h LYS 49 N 0.28 0.60 -0.74 3.15 1.57 -1.26 -1.72 116.57 118.46 2b7e h LYS 49 Ca 0.07 -0.79 -0.06 0.00 -1.87 0.00 0.00 60.65 58.00 2b7e h LYS 49 Cb 0.15 0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 2b7e h LYS 49 CO -0.00 1.35 0.22 0.93 -0.57 0.00 0.00 179.45 181.39 2b7e h GLU 50 N 0.28 1.16 0.00 3.15 5.08 -0.29 -0.29 114.58 123.67 2b7e h GLU 50 Ca -0.17 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 57.90 2b7e h GLU 50 Cb 1.88 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 2b7e h GLU 50 CO 0.23 0.99 -0.13 0.00 -1.00 0.00 0.00 179.01 179.10 2b7e h MET 51 N 1.11 0.00 -0.27 2.33 -0.00 -0.35 -2.23 114.93 115.52 2b7e h MET 51 Ca 0.24 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.79 2b7e h MET 51 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.91 2b7e h MET 51 CO -0.01 0.13 -0.43 0.35 -0.00 0.00 0.00 176.91 176.96 2b7e h PHE 52 N 0.00 0.81 -0.05 -0.10 3.57 -0.69 0.13 116.94 120.62 2b7e h PHE 52 Ca -0.00 -0.25 -0.08 0.00 3.53 0.00 0.00 57.97 61.17 2b7e h PHE 52 Cb 1.05 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 2b7e h PHE 52 CO 0.00 0.99 -0.33 0.93 -2.23 0.00 0.00 178.31 177.67 2b7e h GLU 53 N 0.55 0.10 -0.22 1.11 4.39 -0.84 -1.46 114.58 118.20 2b7e h GLU 53 Ca 0.04 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 2b7e h GLU 53 Cb 0.96 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2b7e h GLU 53 CO 0.09 0.42 -0.59 -0.22 -1.16 0.00 0.00 179.01 177.54 2b7e h LYS 54 N 0.09 0.73 -0.27 2.33 1.63 -0.95 -1.56 116.57 118.57 2b7e h LYS 54 Ca 0.01 -0.49 -0.07 0.00 -0.85 0.00 0.00 60.65 59.25 2b7e h LYS 54 Cb 0.62 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 2b7e h LYS 54 CO 0.05 1.11 -0.15 -0.92 -3.45 0.00 0.00 179.45 176.08 2b7e h TYR 55 N 0.55 0.49 0.04 1.91 3.20 -0.28 0.50 116.97 123.37 2b7e h TYR 55 Ca -0.00 -0.08 -0.23 0.00 3.14 0.00 0.00 58.73 61.56 2b7e h TYR 55 Cb 1.18 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 2b7e h TYR 55 CO 0.06 0.59 -1.05 -0.07 -1.64 0.00 0.00 178.16 176.05 2b7e h LEU 56 N 0.42 0.18 0.00 2.82 3.38 -1.18 -2.28 115.31 118.65 2b7e h LEU 56 Ca 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2b7e h LEU 56 Cb 0.51 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2b7e h LEU 56 CO 0.03 1.11 -0.21 0.77 0.09 0.00 0.00 178.44 180.23 2b7e h SER 57 N 0.04 0.00 -0.07 -0.43 4.64 -1.04 -3.42 113.55 113.27 2b7e h SER 57 Ca -0.06 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 2b7e h SER 57 Cb 1.78 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.87 2b7e h SER 57 CO 0.15 0.41 -0.10 -1.13 -0.87 0.00 0.00 176.83 175.30 2b7e h ASN 58 N -0.60 0.21 0.00 4.97 -0.00 -0.22 -3.51 115.58 116.43 2b7e h ASN 58 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 56.30 55.78 2b7e h ASN 58 Cb 0.21 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.47 2b7e h ASN 58 CO 0.00 0.68 0.00 0.54 -0.00 0.00 0.00 177.43 178.65