#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 3.11 -0.03 4.61 0.00 -1.26 -3.85 120.51 123.09 2b7e n ALA 2 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 53.44 52.66 2b7e n ALA 2 Cb 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 2b7e n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2b7e n MET 3 N 0.15 0.27 0.31 0.00 0.00 -1.26 -4.36 117.12 112.24 2b7e n MET 3 Ca 0.12 0.11 -0.17 0.00 0.00 0.00 0.00 57.70 57.76 2b7e n MET 3 Cb 0.65 -0.95 -0.08 0.00 0.00 0.00 0.00 33.22 32.84 2b7e n MET 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2b7e h GLU 4 N -0.52 -0.80 -0.32 0.03 3.07 -2.01 -1.62 114.58 112.42 2b7e h GLU 4 Ca 0.00 0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.86 2b7e h GLU 4 Cb 0.52 0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.59 2b7e h GLU 4 CO 0.00 -0.53 -0.06 0.00 -1.40 0.00 0.00 179.01 177.02 2b7e h ALA 5 N -0.44 1.32 0.25 3.43 0.00 -1.88 -0.32 119.26 121.63 2b7e h ALA 5 Ca -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2b7e h ALA 5 Cb 0.68 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2b7e h ALA 5 CO 0.07 0.46 -0.12 1.49 0.00 0.00 0.00 179.25 181.15 2b7e h GLU 6 N 0.48 -0.32 -0.43 0.00 4.81 -1.70 0.93 114.58 118.35 2b7e h GLU 6 Ca 0.10 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 2b7e h GLU 6 Cb 0.40 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2b7e h GLU 6 CO 0.02 -0.11 0.03 0.87 -0.73 0.00 0.00 179.01 179.09 2b7e h LYS 7 N -0.48 0.69 -0.70 1.92 1.57 -1.07 0.20 116.57 118.69 2b7e h LYS 7 Ca -0.03 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2b7e h LYS 7 Cb 0.36 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2b7e h LYS 7 CO 0.06 0.68 0.36 0.93 -0.57 0.00 0.00 179.45 180.91 2b7e h GLU 8 N 0.65 0.98 -0.26 3.15 4.39 -0.90 0.15 114.58 122.75 2b7e h GLU 8 Ca 0.14 -0.12 -0.18 0.00 0.34 0.00 0.00 59.36 59.53 2b7e h GLU 8 Cb 0.36 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2b7e h GLU 8 CO 0.01 0.74 -0.56 0.35 -1.16 0.00 0.00 179.01 178.39 2b7e h PHE 9 N 0.99 1.04 -0.22 4.33 3.04 0.52 0.76 116.94 127.39 2b7e h PHE 9 Ca 0.25 -0.38 -0.17 0.00 3.98 0.00 0.00 57.97 61.65 2b7e h PHE 9 Cb 0.06 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.37 2b7e h PHE 9 CO 0.01 1.19 -0.56 0.82 -2.02 0.00 0.00 178.31 177.75 2b7e h ILE 10 N 0.62 1.30 0.00 1.41 1.08 -0.31 0.19 117.51 121.81 2b7e h ILE 10 Ca 0.01 -1.79 -0.06 0.00 -0.39 0.00 0.00 64.86 62.63 2b7e h ILE 10 Cb 1.17 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 36.64 2b7e h ILE 10 CO 0.12 0.57 -0.28 0.74 -0.69 0.00 0.00 178.15 178.61 2b7e h THR 11 N 0.52 0.64 -0.01 -0.27 2.02 -0.69 -2.13 112.91 112.99 2b7e h THR 11 Ca 0.01 -1.32 -0.19 0.00 0.77 0.00 0.00 66.41 65.68 2b7e h THR 11 Cb 1.13 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 2b7e h THR 11 CO 0.11 0.27 -0.83 -0.03 0.37 0.00 0.00 175.52 175.42 2b7e h MET 12 N 0.00 0.23 -0.41 6.66 1.85 -0.28 0.14 114.93 123.12 2b7e h MET 12 Ca -0.00 -0.23 -0.12 0.00 -0.61 0.00 0.00 59.70 58.73 2b7e h MET 12 Cb 0.85 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.93 2b7e h MET 12 CO 0.04 0.93 -0.23 -0.07 -0.40 0.00 0.00 176.91 177.17 2b7e h LEU 13 N 0.14 0.86 -0.39 3.39 3.38 -0.65 0.66 115.31 122.70 2b7e h LEU 13 Ca -0.04 -0.32 -0.15 0.00 0.09 0.00 0.00 57.88 57.46 2b7e h LEU 13 Cb 1.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2b7e h LEU 13 CO 0.13 1.06 -0.35 0.11 0.09 0.00 0.00 178.44 179.48 2b7e h LYS 14 N 0.73 0.92 0.00 1.13 1.57 -1.16 0.36 116.57 120.12 2b7e h LYS 14 Ca 0.10 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2b7e h LYS 14 Cb 0.77 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2b7e h LYS 14 CO 0.06 1.13 0.00 0.39 -0.57 0.00 0.00 179.45 180.46 2b7e n GLU 15 N -4.09 0.16 -0.28 3.15 1.02 0.47 -2.17 120.64 118.90 2b7e n GLU 15 Ca -0.02 0.28 0.08 0.00 -0.02 0.00 0.00 57.16 57.48 2b7e n GLU 15 Cb 0.52 -1.74 0.23 0.00 -0.02 0.00 0.00 31.44 30.43 2b7e n GLU 15 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2b7e n ASN 16 N -2.03 3.44 -2.67 1.62 5.03 0.21 -4.96 115.26 115.91 2b7e n ASN 16 Ca 0.04 -2.08 -0.19 0.00 0.87 0.00 0.00 54.58 53.22 2b7e n ASN 16 Cb 0.29 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.70 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 0.88 -2.79 -2.55 3.52 1.13 -0.91 -4.93 117.38 111.72 2b7e n GLN 17 Ca 0.17 0.81 -0.40 0.00 -1.94 0.00 0.00 57.00 55.65 2b7e n GLN 17 Cb 0.55 -5.51 -0.05 0.00 0.11 0.00 0.00 30.24 25.34 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 -2.94 3.65 0.00 5.09 1.01 0.12 -5.02 120.40 122.31 2b7e s VAL 18 Ca 0.12 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.69 2b7e s VAL 18 Cb -0.06 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2b7e s VAL 18 CO 0.14 0.33 0.00 -0.90 0.00 0.00 0.00 175.10 174.68 2b7e n ASP 19 N 1.06 0.00 -0.21 3.32 5.68 -1.26 -4.71 116.55 120.42 2b7e n ASP 19 Ca -0.00 0.00 0.25 0.00 -0.50 0.00 0.00 54.79 54.53 2b7e n ASP 19 Cb 0.46 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.07 2b7e n ASP 19 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2b7e h SER 20 N 0.00 0.18 -0.22 -1.12 4.64 -1.95 -1.91 113.55 113.17 2b7e h SER 20 Ca 0.00 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 2b7e h SER 20 Cb 0.00 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 2b7e h SER 20 CO 0.00 0.06 0.10 1.07 -0.87 0.00 0.00 176.83 177.20 2b7e n THR 21 N -4.38 1.24 -4.96 2.95 5.66 -1.26 -4.80 114.28 108.72 2b7e n THR 21 Ca 0.19 -0.45 -0.32 0.00 -3.05 0.00 0.00 64.05 60.42 2b7e n THR 21 Cb 0.86 -0.69 -0.14 0.00 -1.55 0.00 0.00 70.33 68.82 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 -1.12 2.59 0.45 1.09 0.52 -0.72 -5.13 118.94 116.61 2b7e s TRP 22 Ca 0.15 -0.24 0.05 0.00 0.02 0.00 0.00 56.10 56.08 2b7e s TRP 22 Cb 0.12 -1.57 0.01 0.00 -1.15 0.00 0.00 33.47 30.88 2b7e s TRP 22 CO 0.03 0.14 0.63 -1.54 0.02 0.00 0.00 176.95 176.23 2b7e s SER 23 N -0.80 5.61 -0.06 2.95 1.04 -1.26 -4.98 113.70 116.20 2b7e s SER 23 Ca 0.12 -0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.46 2b7e s SER 23 Cb -0.10 -0.93 0.34 0.00 0.10 0.00 0.00 66.02 65.43 2b7e s SER 23 CO 0.01 -0.82 1.15 0.33 0.98 0.00 0.00 173.24 174.89 2b7e n PHE 24 N -2.00 0.74 -0.07 5.02 7.35 -1.26 -2.51 117.46 124.73 2b7e n PHE 24 Ca 0.06 -0.29 -0.22 0.00 -0.76 0.00 0.00 57.45 56.25 2b7e n PHE 24 Cb 0.59 -0.17 -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 0.43 -0.76 0.00 0.00 176.76 176.43 2b7e n SER 25 N 0.37 2.02 -0.24 -2.13 7.64 -1.26 -3.00 113.62 117.02 2b7e n SER 25 Ca 0.12 0.16 -0.01 0.00 1.01 0.00 0.00 58.87 60.16 2b7e n SER 25 Cb 0.51 -0.75 0.20 0.00 -1.01 0.00 0.00 64.21 63.17 2b7e n SER 25 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2b7e h ARG 26 N -0.26 1.05 0.79 1.43 2.43 -1.90 0.21 114.38 118.14 2b7e h ARG 26 Ca -0.49 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 58.56 2b7e h ARG 26 Cb 1.82 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 31.16 2b7e h ARG 26 CO -0.08 0.73 -0.38 0.82 -1.51 0.00 0.00 179.97 179.55 2b7e h ILE 27 N 1.07 0.18 -0.48 1.20 2.04 -1.62 0.29 117.51 120.19 2b7e h ILE 27 Ca 0.28 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.07 2b7e h ILE 27 Cb -0.06 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 2b7e h ILE 27 CO -0.06 0.01 0.31 0.40 0.00 0.00 0.00 178.15 178.81 2b7e h ILE 28 N -1.12 1.13 0.19 -0.67 2.04 -1.39 0.51 117.51 118.18 2b7e h ILE 28 Ca -0.11 -0.25 -0.31 0.00 1.00 0.00 0.00 64.86 65.19 2b7e h ILE 28 Cb 0.83 0.43 0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2b7e h ILE 28 CO 0.18 0.13 -1.36 -1.28 0.00 0.00 0.00 178.15 175.82 2b7e h SER 29 N 0.65 0.77 0.00 1.72 0.87 -0.48 -3.14 113.55 113.94 2b7e h SER 29 Ca 0.17 -0.78 -0.30 0.00 -1.23 0.00 0.00 61.79 59.65 2b7e h SER 29 Cb -0.06 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 61.60 2b7e h SER 29 CO -0.04 1.60 -2.14 -0.62 -0.53 0.00 0.00 176.83 175.11 2b7e n GLU 30 N -3.70 0.98 0.07 2.24 -0.58 1.00 -4.28 120.64 116.37 2b7e n GLU 30 Ca -0.14 0.05 0.12 0.00 -0.42 0.00 0.00 57.16 56.77 2b7e n GLU 30 Cb 1.05 -1.41 0.22 0.00 -0.57 0.00 0.00 31.44 30.72 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 -0.14 -4.62 4.07 -0.06 0.35 115.31 114.91 2b7e h LEU 31 Ca -0.45 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.35 2b7e h LEU 31 Cb 1.87 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.61 2b7e h LEU 31 CO -0.02 0.08 -0.09 0.61 -1.08 0.00 0.00 178.44 177.94 2b7e n GLY 32 N 1.32 -1.08 0.76 0.83 0.00 -1.09 -4.24 105.19 101.69 2b7e n GLY 32 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.10 0.00 -0.23 2.61 -2.24 -1.06 -4.83 114.28 107.43 2b7e n THR 33 Ca 0.14 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.93 2b7e n THR 33 Cb 0.27 -0.73 0.14 0.00 -2.10 0.00 0.00 70.33 67.90 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 0.46 -1.98 -0.78 3.08 -0.52 -3.42 114.38 111.22 2b7e h ARG 34 Ca 0.00 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.05 2b7e h ARG 34 Cb 0.60 -0.10 -0.21 0.00 0.08 0.00 0.00 29.97 30.33 2b7e h ARG 34 CO 0.00 0.31 0.02 0.34 -1.07 0.00 0.00 179.97 179.57 2b7e s ASP 35 N -5.41 -0.94 0.00 7.04 2.15 -1.26 -5.05 116.67 113.19 2b7e s ASP 35 Ca -0.13 1.50 0.00 0.00 0.43 0.00 0.00 52.55 54.35 2b7e s ASP 35 Cb 0.18 1.43 0.00 0.00 -0.30 0.00 0.00 42.92 44.24 2b7e s ASP 35 CO 0.75 -0.23 0.42 -2.65 -0.17 0.00 0.00 175.17 173.29 2b7e n PRO 36 N 4.36 0.47 0.22 4.34 -0.02 -1.26 -3.81 135.00 139.31 2b7e n PRO 36 Ca -0.19 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.35 2b7e n PRO 36 Cb 0.58 -1.26 0.51 0.00 -0.02 0.00 0.00 33.50 33.32 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 0.92 0.00 0.00 -0.52 3.08 -1.97 -0.09 114.38 115.81 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 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 2b7e h ARG 37 CO 0.00 0.23 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.19 2b7e h TYR 38 N 0.00 0.00 0.00 3.04 3.20 -1.74 -3.17 116.97 118.30 2b7e h TYR 38 Ca -0.00 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.61 2b7e h TYR 38 Cb 0.45 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 2b7e h TYR 38 CO 0.00 0.03 -2.09 0.91 -1.64 0.00 0.00 178.16 175.36 2b7e n TRP 39 N -3.14 0.00 -0.32 -3.82 5.03 -0.50 -4.39 117.44 110.30 2b7e n TRP 39 Ca 0.00 0.00 0.04 0.00 3.03 0.00 0.00 57.50 60.57 2b7e n TRP 39 Cb 0.29 -0.76 0.18 0.00 -1.03 0.00 0.00 31.31 29.99 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 0.88 -5.60 -0.99 2.86 -1.03 -3.34 114.93 107.70 2b7e h MET 40 Ca -0.39 -0.05 -0.60 0.00 -2.06 0.00 0.00 59.70 56.60 2b7e h MET 40 Cb 1.86 -0.20 -0.10 0.00 0.06 0.00 0.00 31.60 33.22 2b7e h MET 40 CO 0.02 0.58 0.08 0.54 1.06 0.00 0.00 176.91 179.20 2b7e s VAL 41 N -6.02 5.04 0.47 -2.22 0.11 -1.24 -5.03 120.40 111.51 2b7e s VAL 41 Ca -0.12 1.12 -0.24 0.00 -2.93 0.00 0.00 61.98 59.80 2b7e s VAL 41 Cb 0.20 -3.92 -0.08 0.00 -1.53 0.00 0.00 36.38 31.06 2b7e s VAL 41 CO 0.79 0.11 1.36 -0.90 -3.33 0.00 0.00 175.10 173.14 2b7e n ASP 42 N 5.09 2.89 -4.55 3.54 5.75 -1.25 -4.78 116.55 123.23 2b7e n ASP 42 Ca -0.02 1.07 -0.39 0.00 -0.01 0.00 0.00 54.79 55.44 2b7e n ASP 42 Cb 0.50 -1.56 -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 1.51 -0.11 0.00 0.00 177.20 178.60 2b7e s ASP 43 N -0.62 5.78 -0.58 -1.12 -4.77 -1.26 -4.90 116.67 109.19 2b7e s ASP 43 Ca 0.64 -0.27 -0.09 0.00 -3.30 0.00 0.00 52.55 49.53 2b7e s ASP 43 Cb -0.45 -2.55 0.15 0.00 -1.09 0.00 0.00 42.92 38.98 2b7e s ASP 43 CO 0.55 -2.08 0.47 -0.62 0.70 0.00 0.00 175.17 174.19 2b7e s ASP 44 N 5.83 5.87 0.29 2.11 2.15 -1.26 -4.98 116.67 126.68 2b7e s ASP 44 Ca 0.51 -2.26 -0.02 0.00 0.43 0.00 0.00 52.55 51.21 2b7e s ASP 44 Cb -0.09 -2.04 0.41 0.00 -0.30 0.00 0.00 42.92 40.91 2b7e s ASP 44 CO 0.14 -0.62 1.87 -0.65 -0.17 0.00 0.00 175.17 175.73 2b7e h PRO 45 N 8.05 0.90 -0.81 4.34 0.11 -1.98 -0.17 132.00 142.46 2b7e h PRO 45 Ca -0.11 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 2b7e h PRO 45 Cb 1.04 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 2b7e h PRO 45 CO 0.82 0.74 0.45 1.25 -0.21 0.00 0.00 178.00 181.05 2b7e h LEU 46 N 0.89 1.00 -0.53 2.35 7.12 -1.98 0.45 115.31 124.60 2b7e h LEU 46 Ca 0.21 -0.08 -0.14 0.00 0.13 0.00 0.00 57.88 58.00 2b7e h LEU 46 Cb 0.18 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.04 2b7e h LEU 46 CO -0.02 0.80 -0.35 -0.25 -0.13 0.00 0.00 178.44 178.49 2b7e h TRP 47 N 1.12 0.96 -0.33 1.25 7.01 -1.82 0.19 115.95 124.33 2b7e h TRP 47 Ca 0.29 -0.27 -0.00 0.00 2.11 0.00 0.00 58.89 61.01 2b7e h TRP 47 Cb 0.02 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.85 2b7e h TRP 47 CO 0.01 1.04 0.18 0.87 -2.79 0.00 0.00 178.44 177.75 2b7e h LYS 48 N 0.67 0.44 0.19 2.65 1.79 0.66 0.26 116.57 123.24 2b7e h LYS 48 Ca 0.06 -0.04 -0.33 0.00 -2.18 0.00 0.00 60.65 58.17 2b7e h LYS 48 Cb 0.90 -0.09 0.02 0.00 -1.58 0.00 0.00 32.23 31.48 2b7e h LYS 48 CO 0.08 0.32 -1.55 0.87 -1.08 0.00 0.00 179.45 178.10 2b7e h LYS 49 N 0.45 0.41 -0.81 3.15 1.57 0.10 -2.38 116.57 119.06 2b7e h LYS 49 Ca 0.12 -0.69 -0.02 0.00 -1.87 0.00 0.00 60.65 58.18 2b7e h LYS 49 Cb 0.00 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 2b7e h LYS 49 CO -0.02 1.31 0.42 0.93 -0.57 0.00 0.00 179.45 181.52 2b7e h GLU 50 N 0.11 1.14 0.00 3.15 5.08 -0.10 -0.79 114.58 123.17 2b7e h GLU 50 Ca -0.27 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 57.81 2b7e h GLU 50 Cb 2.10 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 31.11 2b7e h GLU 50 CO 0.21 0.85 -0.65 0.00 -1.00 0.00 0.00 179.01 178.42 2b7e h MET 51 N 1.13 0.00 -0.27 2.33 -0.00 -0.57 -2.31 114.93 115.25 2b7e h MET 51 Ca 0.28 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.80 2b7e h MET 51 Cb 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.67 2b7e h MET 51 CO -0.04 0.65 -0.56 0.35 -0.00 0.00 0.00 176.91 177.32 2b7e h PHE 52 N 0.00 1.04 0.00 -0.10 3.57 -0.90 0.27 116.94 120.81 2b7e h PHE 52 Ca -0.01 -0.37 -0.03 0.00 3.53 0.00 0.00 57.97 61.09 2b7e h PHE 52 Cb 1.44 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 2b7e h PHE 52 CO 0.00 1.19 -0.16 1.05 -2.23 0.00 0.00 178.31 178.16 2b7e h GLU 53 N 0.63 0.00 -0.23 1.11 4.11 -1.16 -1.91 114.58 117.13 2b7e h GLU 53 Ca 0.01 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.27 2b7e h GLU 53 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2b7e h GLU 53 CO 0.12 0.16 -0.53 -0.22 0.07 0.00 0.00 179.01 178.60 2b7e h LYS 54 N 0.00 0.67 0.00 1.06 1.63 -1.11 0.15 116.57 118.97 2b7e h LYS 54 Ca -0.00 -0.42 -0.05 0.00 -0.85 0.00 0.00 60.65 59.33 2b7e h LYS 54 Cb 0.84 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.51 2b7e h LYS 54 CO 0.02 1.04 -0.24 -0.92 -3.45 0.00 0.00 179.45 175.90 2b7e h TYR 55 N 0.52 0.00 0.04 1.91 3.20 -0.21 0.88 116.97 123.32 2b7e h TYR 55 Ca 0.01 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.60 2b7e h TYR 55 Cb 1.10 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 2b7e h TYR 55 CO 0.05 0.24 -1.54 -0.07 -1.64 0.00 0.00 178.16 175.20 2b7e h LEU 56 N 0.00 0.15 0.01 2.82 3.38 -1.15 -2.78 115.31 117.74 2b7e h LEU 56 Ca -0.00 -0.24 -0.24 0.00 0.09 0.00 0.00 57.88 57.48 2b7e h LEU 56 Cb 0.59 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2b7e h LEU 56 CO 0.03 1.21 -1.32 -1.28 0.09 0.00 0.00 178.44 177.16 2b7e h SER 57 N 0.03 0.03 0.00 -0.43 0.87 -0.70 -3.42 113.55 109.93 2b7e h SER 57 Ca -0.23 -0.54 -0.06 0.00 -1.23 0.00 0.00 61.79 59.73 2b7e h SER 57 Cb 1.97 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.91 2b7e h SER 57 CO 0.11 1.52 -0.50 -1.13 -0.53 0.00 0.00 176.83 176.31 2b7e h ASN 58 N -0.91 0.00 0.00 6.23 -0.00 0.53 -3.50 115.58 117.92 2b7e h ASN 58 Ca -0.36 -0.25 0.00 0.00 -0.00 0.00 0.00 56.30 55.69 2b7e h ASN 58 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.69 2b7e h ASN 58 CO -0.19 0.90 0.00 -1.14 -0.00 0.00 0.00 177.43 177.01