#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 -0.44 -0.04 4.61 0.00 -1.26 -4.85 120.51 118.53 2b7e n ALA 2 Ca 0.00 0.25 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 2b7e n ALA 2 Cb 0.00 -1.99 -0.13 0.00 0.00 0.00 0.00 19.45 17.33 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 0.13 -0.25 0.00 0.00 -2.05 -1.37 114.93 111.40 2b7e h MET 3 Ca -0.42 -0.23 -0.11 0.00 0.00 0.00 0.00 59.70 58.94 2b7e h MET 3 Cb 1.29 0.09 -0.01 0.00 0.00 0.00 0.00 31.60 32.97 2b7e h MET 3 CO 0.57 1.11 -0.31 1.49 0.00 0.00 0.00 176.91 179.77 2b7e h GLU 4 N -0.58 0.51 -0.65 1.72 4.81 -2.00 -1.52 114.58 116.87 2b7e h GLU 4 Ca -0.31 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 58.65 2b7e h GLU 4 Cb 1.56 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.89 2b7e h GLU 4 CO -0.04 0.76 0.19 0.00 -0.73 0.00 0.00 179.01 179.18 2b7e h ALA 5 N 1.23 0.85 -0.39 2.92 0.00 -1.95 -2.46 119.26 119.46 2b7e h ALA 5 Ca 0.05 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2b7e h ALA 5 Cb 0.76 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2b7e h ALA 5 CO 0.06 0.55 0.17 1.49 0.00 0.00 0.00 179.25 181.52 2b7e h GLU 6 N 0.95 0.34 -0.23 0.00 4.81 -0.77 0.13 114.58 119.81 2b7e h GLU 6 Ca 0.21 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.47 2b7e h GLU 6 Cb 0.32 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 2b7e h GLU 6 CO -0.00 0.23 -0.20 0.87 -0.73 0.00 0.00 179.01 179.18 2b7e h LYS 7 N 0.35 -0.19 -0.75 1.92 1.79 -0.98 0.22 116.57 118.93 2b7e h LYS 7 Ca 0.17 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.62 2b7e h LYS 7 Cb 0.11 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 2b7e h LYS 7 CO -0.15 -0.13 0.32 0.93 -1.08 0.00 0.00 179.45 179.34 2b7e h GLU 8 N -0.20 1.10 -0.77 3.15 4.39 -1.14 -0.88 114.58 120.23 2b7e h GLU 8 Ca 0.13 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2b7e h GLU 8 Cb 0.40 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 2b7e h GLU 8 CO -0.34 0.88 0.31 0.35 -1.16 0.00 0.00 179.01 179.04 2b7e h PHE 9 N 1.08 1.16 -0.07 4.33 3.04 0.38 0.21 116.94 127.07 2b7e h PHE 9 Ca 0.25 -0.08 -0.21 0.00 3.98 0.00 0.00 57.97 61.91 2b7e h PHE 9 Cb 0.17 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.34 2b7e h PHE 9 CO 0.02 0.88 -0.83 0.82 -2.02 0.00 0.00 178.31 177.18 2b7e h ILE 10 N 1.12 1.34 -0.36 1.41 1.08 -0.31 0.25 117.51 122.03 2b7e h ILE 10 Ca 0.26 -2.18 -0.05 0.00 -0.39 0.00 0.00 64.86 62.50 2b7e h ILE 10 Cb 0.21 2.18 -0.02 0.00 -3.07 0.00 0.00 36.82 36.12 2b7e h ILE 10 CO -0.02 0.67 0.00 0.74 -0.69 0.00 0.00 178.15 178.85 2b7e h THR 11 N 0.35 1.20 0.00 -0.27 2.02 -0.77 -0.82 112.91 114.62 2b7e h THR 11 Ca -0.06 -0.81 -0.17 0.00 0.77 0.00 0.00 66.41 66.13 2b7e h THR 11 Cb 1.44 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 2b7e h THR 11 CO 0.15 0.28 -0.81 -0.03 0.37 0.00 0.00 175.52 175.48 2b7e h MET 12 N 0.54 0.05 -0.30 6.66 1.85 -0.40 -1.72 114.93 121.61 2b7e h MET 12 Ca 0.11 -0.05 -0.16 0.00 -0.61 0.00 0.00 59.70 58.99 2b7e h MET 12 Cb 0.34 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 2b7e h MET 12 CO 0.01 0.83 -0.46 -0.07 -0.40 0.00 0.00 176.91 176.82 2b7e h LEU 13 N 0.03 0.84 -0.59 3.39 3.38 -0.20 -1.24 115.31 120.92 2b7e h LEU 13 Ca -0.02 -0.41 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 2b7e h LEU 13 Cb 1.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2b7e h LEU 13 CO 0.11 1.17 -0.62 0.11 0.09 0.00 0.00 178.44 179.30 2b7e h LYS 14 N 0.62 0.30 0.00 1.13 6.56 -1.12 -1.32 116.57 122.74 2b7e h LYS 14 Ca 0.04 -0.21 -0.04 0.00 -1.06 0.00 0.00 60.65 59.37 2b7e h LYS 14 Cb 1.03 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.72 2b7e h LYS 14 CO 0.10 0.82 -0.21 0.93 -2.06 0.00 0.00 179.45 179.04 2b7e h GLU 15 N 0.22 0.00 -0.60 3.15 5.08 -1.10 -2.66 114.58 118.67 2b7e h GLU 15 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2b7e h GLU 15 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2b7e h GLU 15 CO 0.10 0.21 0.00 0.09 -1.00 0.00 0.00 179.01 178.41 2b7e n ASN 16 N -3.82 4.55 -2.64 1.42 3.02 -0.49 -4.94 115.26 112.37 2b7e n ASN 16 Ca -0.02 -2.44 -0.17 0.00 -0.03 0.00 0.00 54.58 51.93 2b7e n ASN 16 Cb 0.31 -0.55 -0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 0.99 -2.61 -2.10 3.52 1.13 -1.00 -4.87 117.38 112.44 2b7e n GLN 17 Ca 0.24 0.70 -0.41 0.00 -1.94 0.00 0.00 57.00 55.59 2b7e n GLN 17 Cb 0.85 -5.36 -0.02 0.00 0.11 0.00 0.00 30.24 25.81 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 -2.81 2.85 0.00 5.09 1.01 -0.52 -4.98 120.40 121.04 2b7e s VAL 18 Ca 0.09 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2b7e s VAL 18 Cb -0.05 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2b7e s VAL 18 CO 0.12 0.13 0.00 -0.90 0.00 0.00 0.00 175.10 174.45 2b7e n ASP 19 N 2.05 0.00 0.21 3.32 5.75 -1.26 -4.90 116.55 121.71 2b7e n ASP 19 Ca 0.05 -0.02 0.18 0.00 -0.01 0.00 0.00 54.79 54.99 2b7e n ASP 19 Cb 0.41 0.00 0.83 0.00 -1.03 0.00 0.00 41.12 41.34 2b7e n ASP 19 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2b7e h SER 20 N 0.00 0.00 0.56 -1.12 4.64 -1.93 -0.22 113.55 115.48 2b7e h SER 20 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b7e h SER 20 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2b7e h SER 20 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 2b7e n THR 21 N -3.59 0.96 -3.56 2.95 -2.24 -1.26 -4.66 114.28 102.88 2b7e n THR 21 Ca 0.02 0.25 -0.37 0.00 -2.27 0.00 0.00 64.05 61.68 2b7e n THR 21 Cb 0.39 -1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 67.51 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 3.55 0.39 4.78 0.52 -0.09 -5.08 118.94 119.92 2b7e s TRP 22 Ca 0.06 0.70 0.08 0.00 0.02 0.00 0.00 56.10 56.96 2b7e s TRP 22 Cb 0.09 -2.29 -0.02 0.00 -1.15 0.00 0.00 33.47 30.11 2b7e s TRP 22 CO 0.30 0.40 0.38 -1.12 0.02 0.00 0.00 176.95 176.92 2b7e s SER 23 N -0.10 5.19 -0.02 2.95 0.01 -1.26 -4.92 113.70 115.55 2b7e s SER 23 Ca 0.19 -0.63 0.02 0.00 1.31 0.00 0.00 55.95 56.84 2b7e s SER 23 Cb -0.14 -0.70 0.09 0.00 0.21 0.00 0.00 66.02 65.48 2b7e s SER 23 CO 0.07 -0.58 0.83 0.33 0.41 0.00 0.00 173.24 174.30 2b7e n PHE 24 N -1.53 0.21 -0.04 2.43 7.35 -1.26 -1.32 117.46 123.30 2b7e n PHE 24 Ca 0.02 -0.08 -0.14 0.00 -0.76 0.00 0.00 57.45 56.50 2b7e n PHE 24 Cb 0.61 -0.09 -0.14 0.00 0.35 0.00 0.00 39.48 40.21 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 -0.05 1.26 -0.01 -2.13 2.88 -1.26 -2.98 113.62 111.33 2b7e n SER 25 Ca 0.03 0.22 -0.08 0.00 -1.33 0.00 0.00 58.87 57.72 2b7e n SER 25 Cb 0.25 -0.19 0.08 0.00 -0.75 0.00 0.00 64.21 63.60 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 0.02 0.57 -0.20 -1.46 2.43 -1.60 0.36 114.38 114.51 2b7e h ARG 26 Ca -0.40 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 58.43 2b7e h ARG 26 Cb 2.04 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.60 2b7e h ARG 26 CO 0.06 0.91 0.04 0.82 -1.51 0.00 0.00 179.97 180.29 2b7e h ILE 27 N 0.46 1.21 -0.25 1.20 2.04 -1.64 0.16 117.51 120.69 2b7e h ILE 27 Ca 0.03 -0.69 -0.13 0.00 1.00 0.00 0.00 64.86 65.08 2b7e h ILE 27 Cb 0.98 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2b7e h ILE 27 CO 0.09 0.21 -0.33 0.40 0.00 0.00 0.00 178.15 178.52 2b7e h ILE 28 N 0.14 1.31 0.09 -0.67 2.04 -1.42 0.31 117.51 119.31 2b7e h ILE 28 Ca 0.06 -1.53 -0.29 0.00 1.00 0.00 0.00 64.86 64.11 2b7e h ILE 28 Cb 0.28 1.71 0.02 0.00 -0.74 0.00 0.00 36.82 38.10 2b7e h ILE 28 CO 0.00 0.48 -1.19 -1.28 0.00 0.00 0.00 178.15 176.16 2b7e h SER 29 N 0.38 0.81 0.00 1.72 0.87 -0.24 -3.29 113.55 113.79 2b7e h SER 29 Ca 0.03 -0.73 -0.16 0.00 -1.23 0.00 0.00 61.79 59.70 2b7e h SER 29 Cb 0.92 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 2b7e h SER 29 CO 0.08 1.54 -1.61 -0.62 -0.53 0.00 0.00 176.83 175.69 2b7e n GLU 30 N -3.77 1.35 0.06 2.24 -0.58 0.51 -4.50 120.64 115.95 2b7e n GLU 30 Ca -0.12 0.03 -0.18 0.00 -0.42 0.00 0.00 57.16 56.47 2b7e n GLU 30 Cb 0.96 -1.22 -0.14 0.00 -0.57 0.00 0.00 31.44 30.47 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 0.43 -1.33 -4.62 5.85 -0.67 -1.45 115.31 113.53 2b7e h LEU 31 Ca -0.24 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 57.85 2b7e h LEU 31 Cb 1.45 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2b7e h LEU 31 CO -0.01 1.53 0.00 1.23 -0.34 0.00 0.00 178.44 180.84 2b7e h GLY 32 N 1.48 0.00 -1.01 3.75 0.00 -0.49 -2.67 103.07 104.14 2b7e h GLY 32 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2b7e h GLY 32 CO 0.16 0.00 -0.12 -1.30 0.00 0.00 0.00 176.54 175.28 2b7e n THR 33 N -2.68 0.00 -0.07 4.70 -2.24 -1.13 -4.56 114.28 108.31 2b7e n THR 33 Ca 0.01 -0.44 -0.21 0.00 -2.27 0.00 0.00 64.05 61.13 2b7e n THR 33 Cb 0.23 1.26 -0.12 0.00 -2.10 0.00 0.00 70.33 69.59 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 2.46 0.08 -2.90 -0.78 3.08 -0.90 -3.49 114.38 111.94 2b7e h ARG 34 Ca 0.00 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.77 2b7e h ARG 34 Cb 0.58 0.05 -0.26 0.00 0.08 0.00 0.00 29.97 30.43 2b7e h ARG 34 CO 0.00 1.07 -0.34 0.34 -1.07 0.00 0.00 179.97 179.97 2b7e s ASP 35 N -6.88 -0.36 0.00 7.04 -1.08 -1.20 -5.03 116.67 109.15 2b7e s ASP 35 Ca -0.26 0.69 0.05 0.00 -0.52 0.00 0.00 52.55 52.51 2b7e s ASP 35 Cb 0.05 0.67 0.24 0.00 -1.46 0.00 0.00 42.92 42.42 2b7e s ASP 35 CO 0.65 -0.13 1.04 -2.65 0.52 0.00 0.00 175.17 174.60 2b7e n PRO 36 N 3.25 0.05 0.11 4.34 -0.02 -1.26 -2.62 135.00 138.85 2b7e n PRO 36 Ca -0.16 0.29 0.17 0.00 -2.02 0.00 0.00 63.50 61.78 2b7e n PRO 36 Cb 0.57 -1.50 0.71 0.00 -0.02 0.00 0.00 33.50 33.26 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 0.36 114.38 115.35 2b7e h ARG 37 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2b7e h ARG 37 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2b7e h ARG 37 CO 0.00 0.00 -0.02 -0.92 -1.07 0.00 0.00 179.97 177.96 2b7e h TYR 38 N 0.00 0.00 0.00 3.04 3.20 -1.81 -3.22 116.97 118.18 2b7e h TYR 38 Ca 0.15 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 2b7e h TYR 38 Cb 0.65 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 2b7e h TYR 38 CO 0.00 0.02 -1.75 0.91 -1.64 0.00 0.00 178.16 175.70 2b7e n TRP 39 N -3.11 0.00 -0.18 -3.82 7.02 0.28 -4.41 117.44 113.21 2b7e n TRP 39 Ca 0.01 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.49 2b7e n TRP 39 Cb 0.35 -0.45 0.09 0.00 -2.42 0.00 0.00 31.31 28.89 2b7e n TRP 39 CO 0.00 0.00 0.00 1.98 -2.02 0.00 0.00 177.69 177.65 2b7e h MET 40 N 0.00 0.21 -5.73 -0.99 4.05 -0.43 -3.29 114.93 108.76 2b7e h MET 40 Ca -0.13 -0.01 -0.61 0.00 -0.28 0.00 0.00 59.70 58.67 2b7e h MET 40 Cb 1.07 -0.05 -0.11 0.00 -0.80 0.00 0.00 31.60 31.72 2b7e h MET 40 CO 0.01 0.14 0.35 0.54 0.23 0.00 0.00 176.91 178.18 2b7e s VAL 41 N -6.13 4.81 0.51 -5.77 0.11 -1.25 -5.02 120.40 107.67 2b7e s VAL 41 Ca -0.13 1.07 -0.23 0.00 -2.93 0.00 0.00 61.98 59.76 2b7e s VAL 41 Cb 0.17 -4.13 -0.07 0.00 -1.53 0.00 0.00 36.38 30.82 2b7e s VAL 41 CO 0.73 -0.27 1.28 -0.90 -3.33 0.00 0.00 175.10 172.62 2b7e n ASP 42 N 6.19 2.41 -4.55 3.54 5.68 -1.24 -4.68 116.55 123.90 2b7e n ASP 42 Ca 0.03 1.00 -0.33 0.00 -0.50 0.00 0.00 54.79 54.99 2b7e n ASP 42 Cb 0.48 -1.53 -0.04 0.00 -1.14 0.00 0.00 41.12 38.90 2b7e n ASP 42 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 2b7e s ASP 43 N -0.82 4.62 -0.52 -1.12 -4.77 -1.26 -4.89 116.67 107.90 2b7e s ASP 43 Ca 0.68 0.64 -0.05 0.00 -3.30 0.00 0.00 52.55 50.53 2b7e s ASP 43 Cb -0.45 -2.52 0.14 0.00 -1.09 0.00 0.00 42.92 39.00 2b7e s ASP 43 CO 0.52 -2.88 0.35 1.51 0.70 0.00 0.00 175.17 175.37 2b7e s ASP 44 N 10.70 5.40 0.31 2.11 1.47 -1.26 -4.98 116.67 130.42 2b7e s ASP 44 Ca 0.87 -2.35 0.06 0.00 1.18 0.00 0.00 52.55 52.31 2b7e s ASP 44 Cb -0.15 -1.89 0.50 0.00 -0.34 0.00 0.00 42.92 41.05 2b7e s ASP 44 CO 0.21 -0.51 1.74 -0.65 0.68 0.00 0.00 175.17 176.64 2b7e h PRO 45 N 7.72 0.30 -0.21 2.11 0.11 -1.97 0.14 132.00 140.19 2b7e h PRO 45 Ca -0.09 -0.12 -0.15 0.00 0.11 0.00 0.00 66.00 65.75 2b7e h PRO 45 Cb 1.02 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2b7e h PRO 45 CO 0.74 0.59 -0.50 1.25 -0.21 0.00 0.00 178.00 179.87 2b7e h LEU 46 N 0.26 0.64 -0.14 2.35 7.12 -1.97 0.40 115.31 123.96 2b7e h LEU 46 Ca 0.03 -0.32 -0.23 0.00 0.13 0.00 0.00 57.88 57.49 2b7e h LEU 46 Cb 0.70 -0.18 0.01 0.00 -0.53 0.00 0.00 40.66 40.66 2b7e h LEU 46 CO 0.05 1.03 -0.85 -0.25 -0.13 0.00 0.00 178.44 178.29 2b7e h TRP 47 N 0.46 1.00 -0.21 1.25 7.01 -1.87 0.23 115.95 123.82 2b7e h TRP 47 Ca 0.02 -0.47 -0.04 0.00 2.11 0.00 0.00 58.89 60.50 2b7e h TRP 47 Cb 1.03 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 2b7e h TRP 47 CO 0.04 1.30 -0.07 0.87 -2.79 0.00 0.00 178.44 177.80 2b7e h LYS 48 N 0.47 0.33 0.15 2.65 6.56 -0.59 0.25 116.57 126.39 2b7e h LYS 48 Ca -0.07 -0.07 -0.30 0.00 -1.06 0.00 0.00 60.65 59.15 2b7e h LYS 48 Cb 1.48 -0.05 0.03 0.00 -0.57 0.00 0.00 32.23 33.12 2b7e h LYS 48 CO 0.17 0.41 -1.29 1.57 -2.06 0.00 0.00 179.45 178.25 2b7e h LYS 49 N 0.31 0.52 -0.37 3.15 2.10 -0.09 -1.98 116.57 120.20 2b7e h LYS 49 Ca 0.07 -0.76 -0.11 0.00 -2.00 0.00 0.00 60.65 57.85 2b7e h LYS 49 Cb 0.32 0.26 -0.01 0.00 -0.90 0.00 0.00 32.23 31.91 2b7e h LYS 49 CO 0.01 1.35 -0.20 0.93 -2.00 0.00 0.00 179.45 179.54 2b7e h GLU 50 N 0.20 0.80 0.00 0.07 4.39 -0.15 0.35 114.58 120.23 2b7e h GLU 50 Ca -0.19 -0.36 -0.10 0.00 0.34 0.00 0.00 59.36 59.05 2b7e h GLU 50 Cb 1.98 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.59 2b7e h GLU 50 CO 0.24 0.98 -0.47 0.00 -1.16 0.00 0.00 179.01 178.60 2b7e h MET 51 N 0.59 0.00 -0.25 2.33 -0.00 -0.60 -1.43 114.93 115.57 2b7e h MET 51 Ca 0.08 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.63 2b7e h MET 51 Cb 0.75 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.35 2b7e h MET 51 CO 0.06 0.47 -0.47 0.35 -0.00 0.00 0.00 176.91 177.32 2b7e h PHE 52 N 0.00 0.81 -0.05 -0.10 3.57 -1.11 -0.39 116.94 119.66 2b7e h PHE 52 Ca -0.00 -0.26 -0.07 0.00 3.53 0.00 0.00 57.97 61.16 2b7e h PHE 52 Cb 1.07 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2b7e h PHE 52 CO 0.00 1.00 -0.30 0.93 -2.23 0.00 0.00 178.31 177.71 2b7e h GLU 53 N 0.53 0.09 -0.14 1.11 4.39 -0.56 -1.35 114.58 118.65 2b7e h GLU 53 Ca 0.03 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 2b7e h GLU 53 Cb 1.01 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2b7e h GLU 53 CO 0.09 0.39 -0.70 -0.22 -1.16 0.00 0.00 179.01 177.42 2b7e h LYS 54 N 0.08 0.61 0.00 2.33 1.63 -0.88 0.19 116.57 120.54 2b7e h LYS 54 Ca 0.01 -0.47 -0.06 0.00 -0.85 0.00 0.00 60.65 59.29 2b7e h LYS 54 Cb 0.58 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 2b7e h LYS 54 CO 0.04 1.09 -0.27 -0.92 -3.45 0.00 0.00 179.45 175.94 2b7e h TYR 55 N 0.43 0.00 0.03 1.91 3.20 -0.55 0.67 116.97 122.67 2b7e h TYR 55 Ca -0.03 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.50 2b7e h TYR 55 Cb 1.29 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.51 2b7e h TYR 55 CO 0.06 0.27 -2.03 1.28 -1.64 0.00 0.00 178.16 176.11 2b7e n LEU 56 N -3.45 1.32 -2.07 2.82 4.77 -0.56 -2.45 117.00 117.39 2b7e n LEU 56 Ca -0.00 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 2b7e n LEU 56 Cb 0.45 -0.18 0.29 0.00 -2.33 0.00 0.00 43.42 41.66 2b7e n LEU 56 CO 0.34 0.59 1.09 -0.24 -1.33 0.00 0.00 177.39 177.84 2b7e n SER 57 N -3.10 4.75 0.04 -1.43 2.88 0.65 -4.70 113.62 112.71 2b7e n SER 57 Ca -0.28 -3.28 0.00 0.00 -1.33 0.00 0.00 58.87 53.98 2b7e n SER 57 Cb 1.07 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 2b7e n SER 57 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2b7e n ASN 58 N -0.27 -0.75 0.00 -3.46 5.15 -0.07 -4.92 115.26 110.93 2b7e n ASN 58 Ca 0.44 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.69 2b7e n ASN 58 Cb 1.45 0.93 0.00 0.00 -0.53 0.00 0.00 39.78 41.63 2b7e n ASN 58 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52