#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bmy s ALA 4 N 0.00 2.21 -0.33 4.61 0.00 -1.26 -5.08 121.76 121.91 2bmy s ALA 4 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2bmy s ALA 4 Cb 0.00 -1.32 0.08 0.00 0.00 0.00 0.00 23.12 21.88 2bmy s ALA 4 CO 0.00 -0.77 0.04 0.42 0.00 0.00 0.00 175.76 175.45 2bmy s ILE 5 N 1.30 2.76 -0.20 0.00 1.01 -1.26 -5.07 121.20 119.75 2bmy s ILE 5 Ca -0.01 -1.78 -0.03 0.00 0.00 0.00 0.00 60.65 58.82 2bmy s ILE 5 Cb -0.16 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 2bmy s ILE 5 CO -0.09 -0.33 -0.07 -0.54 0.00 0.00 0.00 174.94 173.92 2bmy s LYS 6 N 1.13 3.37 -0.05 2.79 1.02 -1.26 -0.85 119.74 125.89 2bmy s LYS 6 Ca 0.01 -0.64 0.04 0.00 0.02 0.00 0.00 55.97 55.40 2bmy s LYS 6 Cb -0.20 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.18 2bmy s LYS 6 CO -0.04 -0.10 -0.17 0.08 -0.92 0.00 0.00 175.35 174.21 2bmy s VAL 7 N 1.20 2.85 0.00 3.17 1.01 -0.78 -5.00 120.40 122.85 2bmy s VAL 7 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2bmy s VAL 7 Cb -0.14 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2bmy s VAL 7 CO -0.02 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2bmy n GLY 8 N 2.40 -0.25 0.00 4.51 0.00 -1.26 -2.10 105.19 108.49 2bmy n GLY 8 Ca -0.17 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2bmy n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bmy n ALA 9 N 2.25 0.00 -2.61 4.61 0.00 -1.22 -4.86 120.51 118.68 2bmy n ALA 9 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2bmy n ALA 9 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2bmy n ALA 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2bmy s TRP 10 N -0.37 3.25 -5.00 0.00 0.51 -0.87 -4.78 118.94 111.69 2bmy s TRP 10 Ca 0.00 0.55 0.00 0.00 -2.12 0.00 0.00 56.10 54.53 2bmy s TRP 10 Cb 0.00 -2.72 0.00 0.00 -0.81 0.00 0.00 33.47 29.94 2bmy s TRP 10 CO 0.00 -0.30 0.00 0.41 -0.51 0.00 0.00 176.95 176.55 2bmy n GLY 11 N 4.48 0.68 2.81 0.98 0.00 -1.26 -1.92 105.19 110.96 2bmy n GLY 11 Ca -0.05 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 2bmy n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bmy n GLY 12 N -1.19 -2.45 1.13 -0.02 0.00 -0.89 -4.85 105.19 96.93 2bmy n GLY 12 Ca 0.00 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.57 2bmy n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bmy n ASN 13 N -4.31 4.00 -2.76 1.61 3.02 -1.26 -4.45 115.26 111.11 2bmy n ASN 13 Ca 0.12 -2.45 -0.10 0.00 -0.03 0.00 0.00 54.58 52.13 2bmy n ASN 13 Cb 0.46 -0.47 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 2bmy n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bmy n GLY 14 N 0.56 -0.59 7.00 7.41 0.00 -1.26 -4.95 105.19 113.35 2bmy n GLY 14 Ca 0.21 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2bmy n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bmy n GLY 15 N 2.03 0.68 3.47 -0.02 0.00 -1.26 -4.47 105.19 105.62 2bmy n GLY 15 Ca 0.06 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 2bmy n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bmy s SER 16 N -4.00 3.90 0.38 1.61 0.01 0.17 -4.81 113.70 110.97 2bmy s SER 16 Ca 0.00 -0.38 -0.26 0.00 1.31 0.00 0.00 55.95 56.62 2bmy s SER 16 Cb 0.00 -0.68 -0.09 0.00 0.21 0.00 0.00 66.02 65.46 2bmy s SER 16 CO 0.00 0.27 1.21 0.00 0.41 0.00 0.00 173.24 175.12 2bmy s ALA 17 N -0.92 3.24 0.10 1.44 0.00 -1.26 -0.15 121.76 124.22 2bmy s ALA 17 Ca 0.15 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.20 2bmy s ALA 17 Cb -0.11 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2bmy s ALA 17 CO 0.05 -0.56 -0.11 -0.59 0.00 0.00 0.00 175.76 174.55 2bmy s PHE 18 N -1.32 1.10 -0.26 0.00 -0.12 0.42 -4.88 117.98 112.92 2bmy s PHE 18 Ca 0.55 -0.62 -0.01 0.00 -0.05 0.00 0.00 56.93 56.79 2bmy s PHE 18 Cb -0.33 -0.60 0.14 0.00 -0.63 0.00 0.00 43.02 41.59 2bmy s PHE 18 CO 0.43 0.02 0.34 0.34 -0.05 0.00 0.00 175.22 176.30 2bmy s ASP 19 N -2.37 0.85 0.48 1.98 -1.08 -1.26 -0.54 116.67 114.73 2bmy s ASP 19 Ca 0.05 -0.29 0.27 0.00 -0.52 0.00 0.00 52.55 52.07 2bmy s ASP 19 Cb -0.04 0.84 0.95 0.00 -1.46 0.00 0.00 42.92 43.22 2bmy s ASP 19 CO 0.01 -0.34 1.83 -0.03 0.52 0.00 0.00 175.17 177.15 2bmy h MET 20 N 8.22 0.00 -1.53 4.34 1.85 -1.51 -3.49 114.93 122.81 2bmy h MET 20 Ca -0.14 0.00 0.17 0.00 -0.61 0.00 0.00 59.70 59.12 2bmy h MET 20 Cb 1.12 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 33.08 2bmy h MET 20 CO 0.29 0.10 -0.41 0.41 -0.40 0.00 0.00 176.91 176.90 2bmy n GLY 21 N 0.34 -2.26 3.79 1.39 0.00 -1.24 -4.88 105.19 102.34 2bmy n GLY 21 Ca 0.01 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 2bmy n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bmy s PRO 22 N -2.57 2.43 0.20 1.61 0.04 -1.26 -4.28 135.00 131.18 2bmy s PRO 22 Ca 0.00 0.95 0.09 0.00 0.04 0.00 0.00 61.00 62.07 2bmy s PRO 22 Cb 0.00 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 2bmy s PRO 22 CO 0.00 -1.45 -0.17 0.00 0.04 0.00 0.00 177.00 175.42 2bmy s ALA 23 N -3.01 2.13 0.05 8.56 0.00 -0.18 -4.97 121.76 124.34 2bmy s ALA 23 Ca 0.60 -1.63 -0.17 0.00 0.00 0.00 0.00 51.96 50.76 2bmy s ALA 23 Cb -0.15 -0.15 -0.19 0.00 0.00 0.00 0.00 23.12 22.62 2bmy s ALA 23 CO 0.55 0.16 1.21 -0.92 0.00 0.00 0.00 175.76 176.77 2bmy h TYR 24 N 2.76 0.82 -2.32 0.00 3.20 -1.39 -3.46 116.97 116.58 2bmy h TYR 24 Ca -0.40 -0.39 -0.05 0.00 3.14 0.00 0.00 58.73 61.04 2bmy h TYR 24 Cb 1.22 -0.11 -0.24 0.00 1.54 0.00 0.00 36.73 39.14 2bmy h TYR 24 CO 0.72 1.20 -0.15 1.03 -1.64 0.00 0.00 178.16 179.32 2bmy s ARG 25 N -3.54 0.54 0.13 1.82 1.81 -1.18 -4.99 118.95 113.53 2bmy s ARG 25 Ca -0.12 1.02 -0.27 0.00 -1.72 0.00 0.00 55.73 54.65 2bmy s ARG 25 Cb 0.06 0.09 -0.07 0.00 -0.45 0.00 0.00 34.95 34.58 2bmy s ARG 25 CO 0.86 -0.16 0.83 0.42 -0.68 0.00 0.00 175.30 176.57 2bmy s ILE 26 N 1.60 4.47 -0.26 1.52 1.01 -1.26 -1.23 121.20 127.06 2bmy s ILE 26 Ca -0.09 1.81 -0.11 0.00 0.00 0.00 0.00 60.65 62.25 2bmy s ILE 26 Cb -0.07 -4.20 -0.12 0.00 0.01 0.00 0.00 42.46 38.09 2bmy s ILE 26 CO -0.16 0.43 -0.32 -0.38 0.00 0.00 0.00 174.94 174.50 2bmy n ILE 27 N 2.22 1.42 -3.65 2.92 5.41 0.70 -4.80 119.36 123.59 2bmy n ILE 27 Ca -0.02 -0.38 -0.10 0.00 1.00 0.00 0.00 62.75 63.24 2bmy n ILE 27 Cb 0.49 -1.80 -0.05 0.00 -0.71 0.00 0.00 39.64 37.57 2bmy n ILE 27 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2bmy s SER 28 N -7.23 -0.21 -0.02 4.38 1.04 -0.95 -1.22 113.70 109.48 2bmy s SER 28 Ca -0.36 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 55.74 2bmy s SER 28 Cb 0.13 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.73 2bmy s SER 28 CO 0.47 -0.85 -0.03 -0.69 0.98 0.00 0.00 173.24 173.11 2bmy s VAL 29 N -3.81 0.37 -0.14 5.02 1.01 0.76 -2.53 120.40 121.08 2bmy s VAL 29 Ca 0.03 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2bmy s VAL 29 Cb 0.02 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.04 2bmy s VAL 29 CO -0.12 0.15 -0.18 -0.54 0.00 0.00 0.00 175.10 174.41 2bmy s LYS 30 N 0.47 2.61 -0.23 2.72 1.02 -0.50 0.76 119.74 126.59 2bmy s LYS 30 Ca -0.05 -0.69 -0.06 0.00 0.02 0.00 0.00 55.97 55.19 2bmy s LYS 30 Cb -0.09 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 2bmy s LYS 30 CO -0.00 -0.13 0.02 0.42 -0.92 0.00 0.00 175.35 174.74 2bmy s ILE 31 N 1.14 3.95 -0.17 2.17 1.09 0.61 -0.78 121.20 129.20 2bmy s ILE 31 Ca -0.01 -0.30 -0.12 0.00 -1.10 0.00 0.00 60.65 59.12 2bmy s ILE 31 Cb -0.14 -2.81 -0.05 0.00 -1.06 0.00 0.00 42.46 38.40 2bmy s ILE 31 CO -0.06 0.39 0.22 -0.36 -0.10 0.00 0.00 174.94 175.02 2bmy s PHE 32 N 1.39 3.45 -0.02 3.97 0.40 -0.25 -1.58 117.98 125.34 2bmy s PHE 32 Ca 0.05 0.48 -0.13 0.00 -0.60 0.00 0.00 56.93 56.72 2bmy s PHE 32 Cb -0.15 -2.24 0.02 0.00 0.51 0.00 0.00 43.02 41.16 2bmy s PHE 32 CO 0.01 0.28 0.28 -1.54 0.70 0.00 0.00 175.22 174.95 2bmy s SER 33 N 0.35 -0.16 0.00 1.36 1.04 -0.56 -0.79 113.70 114.94 2bmy s SER 33 Ca 0.13 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2bmy s SER 33 Cb -0.12 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2bmy s SER 33 CO 0.01 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2bmy n GLY 34 N 1.38 3.01 0.17 7.32 0.00 -1.26 -2.17 105.19 113.64 2bmy n GLY 34 Ca -0.21 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 2bmy n GLY 34 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2bmy h ASP 35 N 0.00 -0.30 -2.54 1.61 3.32 -1.93 -3.02 116.42 113.56 2bmy h ASP 35 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2bmy h ASP 35 Cb 0.00 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2bmy h ASP 35 CO 0.00 -0.11 0.00 1.33 -1.72 0.00 0.00 179.24 178.74 2bmy n VAL 36 N -5.19 0.00 -3.42 -1.35 0.24 -1.26 0.99 118.33 108.34 2bmy n VAL 36 Ca -0.10 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.78 2bmy n VAL 36 Cb 0.20 -0.47 -0.10 0.00 -1.47 0.00 0.00 33.84 32.00 2bmy n VAL 36 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2bmy s VAL 37 N 0.65 5.19 0.01 3.34 1.01 -0.32 -4.47 120.40 125.81 2bmy s VAL 37 Ca 0.00 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 2bmy s VAL 37 Cb 0.00 -3.90 -0.18 0.00 0.00 0.00 0.00 36.38 32.30 2bmy s VAL 37 CO 0.00 -0.24 1.23 0.44 0.00 0.00 0.00 175.10 176.53 2bmy h ASP 38 N 8.60 0.34 -5.65 3.32 3.32 -1.24 -0.40 116.42 124.70 2bmy h ASP 38 Ca -0.28 -0.59 0.28 0.00 0.02 0.00 0.00 57.03 56.45 2bmy h ASP 38 Cb 1.13 -0.10 -0.09 0.00 0.22 0.00 0.00 39.33 40.49 2bmy h ASP 38 CO 0.72 0.87 0.74 -0.83 -1.72 0.00 0.00 179.24 179.03 2bmy s GLY 39 N -3.63 -0.22 0.03 2.75 0.00 -1.16 -0.68 107.32 104.41 2bmy s GLY 39 Ca -0.15 0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.86 2bmy s GLY 39 CO 0.75 1.77 -0.09 0.14 0.00 0.00 0.00 173.10 175.68 2bmy s VAL 40 N -2.43 0.63 -0.01 1.40 1.01 0.23 -1.09 120.40 120.15 2bmy s VAL 40 Ca 0.19 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.39 2bmy s VAL 40 Cb 0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 2bmy s VAL 40 CO -0.00 -0.18 -0.25 -1.81 0.00 0.00 0.00 175.10 172.85 2bmy s ASP 41 N -1.14 2.98 -0.09 3.32 1.01 0.04 0.25 116.67 123.04 2bmy s ASP 41 Ca -0.05 -0.48 -0.01 0.00 0.71 0.00 0.00 52.55 52.72 2bmy s ASP 41 Cb -0.08 -0.32 0.03 0.00 1.01 0.00 0.00 42.92 43.56 2bmy s ASP 41 CO 0.00 0.30 -0.02 -0.69 0.21 0.00 0.00 175.17 174.97 2bmy s VAL 42 N -0.64 0.61 -0.19 -1.27 1.01 -0.23 -1.41 120.40 118.28 2bmy s VAL 42 Ca 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2bmy s VAL 42 Cb -0.10 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2bmy s VAL 42 CO -0.00 0.28 -0.00 -0.89 0.00 0.00 0.00 175.10 174.49 2bmy s THR 43 N 1.88 3.99 0.16 3.92 2.01 -1.05 -0.87 115.64 125.68 2bmy s THR 43 Ca 0.05 -0.30 -0.15 0.00 0.31 0.00 0.00 61.69 61.60 2bmy s THR 43 Cb -0.12 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.61 2bmy s THR 43 CO -0.06 0.44 0.42 0.72 -0.69 0.00 0.00 174.62 175.44 2bmy s PHE 44 N 0.90 -0.00 -0.09 4.92 -0.12 -0.55 -0.21 117.98 122.82 2bmy s PHE 44 Ca 0.01 -0.34 -0.13 0.00 -0.05 0.00 0.00 56.93 56.42 2bmy s PHE 44 Cb -0.14 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.43 2bmy s PHE 44 CO 0.02 -0.80 0.31 0.95 -0.05 0.00 0.00 175.22 175.66 2bmy s THR 45 N -3.88 5.24 -0.27 -4.49 -4.23 -0.36 -0.57 115.64 107.09 2bmy s THR 45 Ca 0.09 0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 61.18 2bmy s THR 45 Cb 0.01 -3.62 0.09 0.00 1.34 0.00 0.00 72.50 70.31 2bmy s THR 45 CO -0.05 0.50 0.10 -0.47 -0.54 0.00 0.00 174.62 174.16 2bmy s TYR 46 N -0.38 0.92 -1.25 3.99 5.04 0.14 -1.03 117.35 124.78 2bmy s TYR 46 Ca 0.19 -1.11 -0.12 0.00 -2.44 0.00 0.00 57.07 53.60 2bmy s TYR 46 Cb -0.14 -1.18 -0.00 0.00 0.35 0.00 0.00 41.96 40.98 2bmy s TYR 46 CO 0.08 -0.77 0.65 0.66 -1.34 0.00 0.00 175.55 174.82 2bmy n TYR 47 N 5.08 -1.81 0.00 4.97 4.02 -1.26 -1.95 117.16 126.20 2bmy n TYR 47 Ca -0.05 0.59 0.00 0.00 -0.01 0.00 0.00 57.90 58.43 2bmy n TYR 47 Cb 0.44 -3.64 0.00 0.00 -0.02 0.00 0.00 39.34 36.11 2bmy n TYR 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bmy n GLY 48 N -1.78 3.09 3.99 2.72 0.00 -1.26 -5.03 105.19 106.92 2bmy n GLY 48 Ca -0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 2bmy n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bmy s LYS 49 N -0.35 3.13 -0.25 1.61 1.02 -0.83 -5.10 119.74 118.97 2bmy s LYS 49 Ca 0.00 -0.99 -0.00 0.00 0.02 0.00 0.00 55.97 55.00 2bmy s LYS 49 Cb 0.00 -2.82 0.04 0.00 -0.52 0.00 0.00 37.83 34.53 2bmy s LYS 49 CO 0.00 0.06 -0.09 0.99 -0.92 0.00 0.00 175.35 175.40 2bmy s THR 50 N -2.18 2.60 0.36 2.17 2.01 -1.26 0.23 115.64 119.56 2bmy s THR 50 Ca 0.45 -1.20 0.08 0.00 0.31 0.00 0.00 61.69 61.33 2bmy s THR 50 Cb -0.10 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 2bmy s THR 50 CO 0.31 0.16 0.12 -1.61 -0.69 0.00 0.00 174.62 172.90 2bmy s GLU 51 N 1.26 2.26 -0.05 4.92 0.41 0.27 -4.96 118.70 122.81 2bmy s GLU 51 Ca -0.02 -1.66 -0.02 0.00 -0.41 0.00 0.00 54.97 52.86 2bmy s GLU 51 Cb -0.17 -2.07 0.03 0.00 -1.78 0.00 0.00 34.13 30.14 2bmy s GLU 51 CO -0.05 0.07 0.10 0.99 -0.49 0.00 0.00 175.26 175.87 2bmy s THR 52 N -2.49 -0.05 0.07 3.63 2.01 -1.26 -1.48 115.64 116.08 2bmy s THR 52 Ca 0.38 0.18 0.10 0.00 0.31 0.00 0.00 61.69 62.65 2bmy s THR 52 Cb -0.01 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 2bmy s THR 52 CO 0.22 0.07 -0.26 -0.13 -0.69 0.00 0.00 174.62 173.83 2bmy s ARG 53 N 1.05 1.63 -0.25 4.92 1.81 -0.05 -4.96 118.95 123.10 2bmy s ARG 53 Ca -0.08 -1.18 0.03 0.00 -1.72 0.00 0.00 55.73 52.77 2bmy s ARG 53 Cb -0.11 -1.91 0.06 0.00 -0.45 0.00 0.00 34.95 32.54 2bmy s ARG 53 CO -0.04 0.48 -0.10 -1.01 -0.68 0.00 0.00 175.30 173.94 2bmy s HIS 54 N -0.90 3.10 -0.09 -0.53 3.76 -1.26 -1.06 115.29 118.31 2bmy s HIS 54 Ca 0.12 -2.21 0.00 0.00 -0.15 0.00 0.00 55.06 52.83 2bmy s HIS 54 Cb -0.10 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.70 2bmy s HIS 54 CO 0.03 -0.86 -0.08 0.71 -0.85 0.00 0.00 174.74 173.70 2bmy s TYR 55 N 1.16 2.92 0.00 1.40 1.51 0.14 -4.98 117.35 119.50 2bmy s TYR 55 Ca -0.08 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 2bmy s TYR 55 Cb -0.20 -1.76 0.00 0.00 -0.11 0.00 0.00 41.96 39.89 2bmy s TYR 55 CO -0.05 0.20 0.00 0.41 -1.11 0.00 0.00 175.55 174.99 2bmy n GLY 56 N 2.60 -3.79 0.00 0.71 0.00 -1.26 0.76 105.19 104.22 2bmy n GLY 56 Ca -0.18 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.75 2bmy n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bmy n GLY 57 N -0.02 -2.29 0.38 -0.02 0.00 0.14 -4.73 105.19 98.66 2bmy n GLY 57 Ca 0.00 -1.44 0.06 0.00 0.00 0.00 0.00 46.02 44.64 2bmy n GLY 57 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bmy n SER 58 N -1.98 1.67 -3.53 1.61 3.41 -1.26 -4.48 113.62 109.06 2bmy n SER 58 Ca 0.00 -1.34 -0.21 0.00 -0.26 0.00 0.00 58.87 57.07 2bmy n SER 58 Cb 0.00 0.25 0.14 0.00 -0.26 0.00 0.00 64.21 64.34 2bmy n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bmy n GLY 59 N 0.85 -0.94 0.00 5.00 0.00 -1.26 -5.02 105.19 103.81 2bmy n GLY 59 Ca 0.06 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2bmy n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bmy n GLY 60 N -1.32 0.11 3.49 -0.02 0.00 -1.26 -4.63 105.19 101.56 2bmy n GLY 60 Ca 0.12 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 2bmy n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bmy s THR 61 N -1.84 3.29 0.26 2.61 2.01 -0.92 -4.70 115.64 116.35 2bmy s THR 61 Ca 0.00 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 2bmy s THR 61 Cb 0.00 -2.33 -0.09 0.00 0.01 0.00 0.00 72.50 70.09 2bmy s THR 61 CO 0.00 0.58 1.24 -2.84 -0.69 0.00 0.00 174.62 172.90 2bmy s PRO 62 N -0.52 4.46 -0.17 4.92 0.02 -1.26 -1.50 135.00 140.96 2bmy s PRO 62 Ca 0.07 2.02 -0.03 0.00 0.02 0.00 0.00 61.00 63.08 2bmy s PRO 62 Cb -0.12 -3.16 0.05 0.00 0.02 0.00 0.00 34.50 31.30 2bmy s PRO 62 CO 0.02 -0.09 0.04 -1.01 -0.33 0.00 0.00 177.00 175.63 2bmy s HIS 63 N -0.65 0.80 -0.08 6.54 3.76 -0.61 -4.97 115.29 120.08 2bmy s HIS 63 Ca 0.50 -0.62 -0.02 0.00 -0.15 0.00 0.00 55.06 54.77 2bmy s HIS 63 Cb -0.36 -0.92 -0.03 0.00 1.11 0.00 0.00 32.58 32.38 2bmy s HIS 63 CO 0.43 -0.54 0.01 -2.00 -0.85 0.00 0.00 174.74 171.80 2bmy s GLU 64 N 1.93 3.01 -0.24 1.40 2.12 -1.26 -0.28 118.70 125.38 2bmy s GLU 64 Ca 0.01 -0.40 -0.01 0.00 0.36 0.00 0.00 54.97 54.92 2bmy s GLU 64 Cb -0.16 -2.82 0.02 0.00 0.26 0.00 0.00 34.13 31.44 2bmy s GLU 64 CO -0.08 0.70 -0.08 0.42 -0.54 0.00 0.00 175.26 175.69 2bmy s ILE 65 N -0.91 2.81 -0.29 -3.70 1.01 0.23 -4.96 121.20 115.38 2bmy s ILE 65 Ca 0.14 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 2bmy s ILE 65 Cb -0.11 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 39.99 2bmy s ILE 65 CO 0.03 0.27 0.04 -0.69 0.00 0.00 0.00 174.94 174.58 2bmy s VAL 66 N 1.33 3.58 -0.41 2.92 1.01 -1.26 -0.17 120.40 127.40 2bmy s VAL 66 Ca 0.01 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 2bmy s VAL 66 Cb -0.16 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.37 2bmy s VAL 66 CO -0.05 0.07 1.25 -0.76 0.00 0.00 0.00 175.10 175.61 2bmy s LEU 67 N 1.42 3.70 0.00 3.92 1.43 -0.36 -5.01 118.68 123.78 2bmy s LEU 67 Ca 0.01 0.79 -0.06 0.00 -1.03 0.00 0.00 54.13 53.84 2bmy s LEU 67 Cb -0.17 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.58 2bmy s LEU 67 CO 0.00 -1.24 0.26 0.00 0.23 0.00 0.00 176.35 175.61 2bmy n GLN 68 N 7.71 -1.88 -1.97 1.70 1.13 -1.26 -4.85 117.38 117.97 2bmy n GLN 68 Ca 0.14 -0.43 -0.42 0.00 -1.94 0.00 0.00 57.00 54.35 2bmy n GLN 68 Cb 0.48 -0.44 -0.03 0.00 0.11 0.00 0.00 30.24 30.37 2bmy n GLN 68 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2bmy s GLU 69 N -3.61 4.21 -1.21 -1.09 8.01 -1.26 -2.59 118.70 121.17 2bmy s GLU 69 Ca 0.18 2.28 0.00 0.00 0.01 0.00 0.00 54.97 57.44 2bmy s GLU 69 Cb -0.02 -3.61 0.00 0.00 -4.31 0.00 0.00 34.13 26.19 2bmy s GLU 69 CO 0.14 -0.72 0.00 0.41 0.01 0.00 0.00 175.26 175.10 2bmy n GLY 70 N 3.96 0.79 3.40 -1.39 0.00 -1.26 -5.00 105.19 105.69 2bmy n GLY 70 Ca 0.16 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2bmy n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bmy s GLU 71 N -3.61 3.53 0.34 1.61 2.12 -1.07 -4.99 118.70 116.63 2bmy s GLU 71 Ca 0.00 -0.57 0.07 0.00 0.36 0.00 0.00 54.97 54.84 2bmy s GLU 71 Cb 0.00 -3.01 -0.07 0.00 0.26 0.00 0.00 34.13 31.31 2bmy s GLU 71 CO 0.00 -0.02 -0.03 0.71 -0.54 0.00 0.00 175.26 175.38 2bmy s TYR 72 N 1.05 2.22 -0.37 5.30 1.51 -1.26 -4.66 117.35 121.14 2bmy s TYR 72 Ca 0.01 -0.68 -0.25 0.00 -1.01 0.00 0.00 57.07 55.15 2bmy s TYR 72 Cb -0.15 -1.38 0.01 0.00 -0.11 0.00 0.00 41.96 40.34 2bmy s TYR 72 CO 0.01 0.37 0.89 -0.51 -1.11 0.00 0.00 175.55 175.20 2bmy s LEU 73 N -3.56 4.03 -0.14 -1.29 1.43 -1.26 -2.62 118.68 115.26 2bmy s LEU 73 Ca 0.33 0.51 0.16 0.00 -1.03 0.00 0.00 54.13 54.10 2bmy s LEU 73 Cb 0.06 -3.21 0.44 0.00 0.03 0.00 0.00 46.19 43.51 2bmy s LEU 73 CO 0.15 -0.84 1.33 1.33 0.23 0.00 0.00 176.35 178.56 2bmy n VAL 74 N 5.95 2.02 0.00 -1.59 0.24 0.14 -1.72 118.33 123.37 2bmy n VAL 74 Ca 0.06 -1.82 0.00 0.00 -2.04 0.00 0.00 64.34 60.54 2bmy n VAL 74 Cb 0.48 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 2bmy n VAL 74 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bmy n GLY 75 N -0.58 1.37 2.90 7.63 0.00 -1.10 -1.56 105.19 113.86 2bmy n GLY 75 Ca 0.18 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2bmy n GLY 75 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2bmy s MET 76 N -1.68 0.06 0.10 1.61 1.75 -1.16 -0.42 119.30 119.56 2bmy s MET 76 Ca 0.00 0.21 -0.11 0.00 -1.25 0.00 0.00 55.69 54.54 2bmy s MET 76 Cb 0.00 -0.10 0.01 0.00 2.84 0.00 0.00 34.83 37.58 2bmy s MET 76 CO 0.00 -0.10 0.25 0.00 -0.65 0.00 0.00 175.02 174.52 2bmy s ALA 77 N 0.66 -0.42 0.00 4.11 0.00 -0.77 -0.31 121.76 125.03 2bmy s ALA 77 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2bmy s ALA 77 Cb -0.07 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.60 2bmy s ALA 77 CO -0.03 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2bmy n GLY 78 N -0.11 -0.67 3.02 0.00 0.00 -1.00 -0.36 105.19 106.09 2bmy n GLY 78 Ca -0.15 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 2bmy n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bmy s GLU 79 N -0.28 0.18 0.31 1.61 2.02 -0.61 -1.72 118.70 120.21 2bmy s GLU 79 Ca 0.00 0.56 -0.27 0.00 0.02 0.00 0.00 54.97 55.28 2bmy s GLU 79 Cb 0.00 -0.12 -0.10 0.00 0.10 0.00 0.00 34.13 34.02 2bmy s GLU 79 CO 0.00 -0.19 0.95 0.08 0.02 0.00 0.00 175.26 176.12 2bmy s VAL 80 N 1.52 4.14 0.18 2.63 1.01 -0.52 -0.12 120.40 129.24 2bmy s VAL 80 Ca -0.07 1.83 -0.09 0.00 0.00 0.00 0.00 61.98 63.66 2bmy s VAL 80 Cb -0.11 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 2bmy s VAL 80 CO -0.08 0.20 0.30 0.00 0.00 0.00 0.00 175.10 175.51 2bmy s ALA 81 N -1.54 0.08 -0.59 5.51 0.00 0.09 -1.53 121.76 123.77 2bmy s ALA 81 Ca 0.49 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 2bmy s ALA 81 Cb -0.20 0.94 0.15 0.00 0.00 0.00 0.00 23.12 24.01 2bmy s ALA 81 CO 0.26 -0.67 0.43 1.21 0.00 0.00 0.00 175.76 176.99 2bmy s ASN 82 N -2.99 5.48 -0.21 0.00 3.84 -1.25 0.48 114.94 120.28 2bmy s ASN 82 Ca 0.20 -2.58 -0.20 0.00 0.21 0.00 0.00 52.86 50.49 2bmy s ASN 82 Cb 0.03 -1.91 -0.03 0.00 -0.55 0.00 0.00 41.25 38.79 2bmy s ASN 82 CO 0.02 -0.46 0.58 -0.47 -2.79 0.00 0.00 177.10 173.98 2bmy s TYR 83 N 0.34 3.35 -0.92 0.43 6.14 0.36 -4.36 117.35 122.69 2bmy s TYR 83 Ca 0.14 0.84 -0.11 0.00 0.64 0.00 0.00 57.07 58.58 2bmy s TYR 83 Cb -0.20 -2.76 0.11 0.00 0.42 0.00 0.00 41.96 39.53 2bmy s TYR 83 CO -0.04 -0.18 0.28 0.72 0.64 0.00 0.00 175.55 176.97 2bmy n HIS 84 N 5.10 -0.57 0.00 4.97 8.25 -1.26 0.69 115.22 132.40 2bmy n HIS 84 Ca -0.03 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2bmy n HIS 84 Cb 0.50 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.67 2bmy n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bmy n GLY 85 N -0.82 1.67 3.32 -1.41 0.00 -1.26 -5.09 105.19 101.60 2bmy n GLY 85 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2bmy n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bmy s ALA 86 N -2.22 2.18 -0.52 4.61 0.00 0.22 -5.06 121.76 120.97 2bmy s ALA 86 Ca 0.00 -1.19 -0.26 0.00 0.00 0.00 0.00 51.96 50.51 2bmy s ALA 86 Cb 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 23.12 22.65 2bmy s ALA 86 CO 0.00 0.52 1.00 0.08 0.00 0.00 0.00 175.76 177.37 2bmy s VAL 87 N -0.72 4.33 0.05 0.00 1.01 -1.24 0.14 120.40 123.96 2bmy s VAL 87 Ca 0.11 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 2bmy s VAL 87 Cb -0.10 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 2bmy s VAL 87 CO 0.01 -1.07 -0.03 0.68 0.00 0.00 0.00 175.10 174.69 2bmy s VAL 88 N 4.13 0.21 -0.17 2.92 -7.23 0.18 -2.09 120.40 118.35 2bmy s VAL 88 Ca 0.36 -1.76 -0.29 0.00 -1.81 0.00 0.00 61.98 58.48 2bmy s VAL 88 Cb -0.10 -1.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 2bmy s VAL 88 CO 0.24 -0.97 1.96 -0.76 -0.31 0.00 0.00 175.10 175.25 2bmy s LEU 89 N -2.85 3.80 0.26 1.32 1.43 -0.93 -0.73 118.68 120.98 2bmy s LEU 89 Ca 0.06 1.94 0.23 0.00 -1.03 0.00 0.00 54.13 55.33 2bmy s LEU 89 Cb 0.07 -3.52 0.11 0.00 0.03 0.00 0.00 46.19 42.87 2bmy s LEU 89 CO -0.10 -1.54 1.20 1.23 0.23 0.00 0.00 176.35 177.37 2bmy h GLY 90 N 13.02 0.00 -4.71 -3.19 0.00 -0.66 -0.82 103.07 106.71 2bmy h GLY 90 Ca -0.40 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 2bmy h GLY 90 CO 0.97 0.00 -0.32 0.54 0.00 0.00 0.00 176.54 177.73 2bmy s LYS 91 N -3.32 0.58 -0.09 4.80 1.02 -1.14 -2.83 119.74 118.76 2bmy s LYS 91 Ca 0.02 -0.10 -0.24 0.00 0.02 0.00 0.00 55.97 55.66 2bmy s LYS 91 Cb 0.09 0.26 0.06 0.00 -0.52 0.00 0.00 37.83 37.71 2bmy s LYS 91 CO 0.76 -0.15 0.57 -1.17 -0.92 0.00 0.00 175.35 174.44 2bmy s LEU 92 N -1.04 -0.21 0.20 3.17 2.96 -0.35 -1.57 118.68 121.84 2bmy s LEU 92 Ca -0.11 0.73 -0.23 0.00 -0.22 0.00 0.00 54.13 54.30 2bmy s LEU 92 Cb -0.05 2.11 0.05 0.00 0.50 0.00 0.00 46.19 48.80 2bmy s LEU 92 CO 0.03 -0.45 0.69 -0.83 -1.32 0.00 0.00 176.35 174.47 2bmy s GLY 93 N -0.77 -0.36 0.11 7.98 0.00 0.52 0.22 107.32 115.02 2bmy s GLY 93 Ca -0.08 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.79 2bmy s GLY 93 CO 0.06 0.05 -0.01 -1.36 0.00 0.00 0.00 173.10 171.84 2bmy s PHE 94 N -3.76 0.83 -0.01 1.90 0.40 -0.88 -1.85 117.98 114.62 2bmy s PHE 94 Ca 0.06 -1.07 0.04 0.00 -0.60 0.00 0.00 56.93 55.37 2bmy s PHE 94 Cb -0.03 -0.50 -0.01 0.00 0.51 0.00 0.00 43.02 42.98 2bmy s PHE 94 CO -0.03 -0.33 -0.14 -1.12 0.70 0.00 0.00 175.22 174.30 2bmy s SER 95 N -3.03 1.62 0.44 1.36 0.01 0.44 -0.03 113.70 114.51 2bmy s SER 95 Ca 0.16 -0.26 0.07 0.00 1.31 0.00 0.00 55.95 57.23 2bmy s SER 95 Cb 0.07 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 2bmy s SER 95 CO -0.03 0.16 0.31 0.42 0.41 0.00 0.00 173.24 174.52 2bmy s THR 96 N -0.35 2.30 -1.68 1.44 -4.23 0.20 0.26 115.64 113.57 2bmy s THR 96 Ca 0.05 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 2bmy s THR 96 Cb -0.05 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.99 2bmy s THR 96 CO -0.00 0.00 0.58 -0.46 -0.54 0.00 0.00 174.62 174.20 2bmy n ASN 97 N -1.49 0.22 0.00 3.99 0.23 -1.08 -3.03 115.26 114.11 2bmy n ASN 97 Ca 0.01 -1.39 0.00 0.00 -0.53 0.00 0.00 54.58 52.67 2bmy n ASN 97 Cb 0.63 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 2bmy n ASN 97 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2bmy n LYS 98 N -0.29 1.54 -3.62 -3.83 4.76 -1.26 -5.04 118.16 110.41 2bmy n LYS 98 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 2bmy n LYS 98 Cb 0.05 -0.72 -0.02 0.00 -1.84 0.00 0.00 35.03 32.50 2bmy n LYS 98 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2bmy s LYS 99 N -1.44 1.45 0.11 1.97 2.20 -1.17 -5.17 119.74 117.70 2bmy s LYS 99 Ca 0.00 -0.71 0.05 0.00 -0.36 0.00 0.00 55.97 54.95 2bmy s LYS 99 Cb 0.00 0.58 -0.04 0.00 -1.51 0.00 0.00 37.83 36.86 2bmy s LYS 99 CO 0.00 -0.64 0.01 0.00 -0.36 0.00 0.00 175.35 174.36 2bmy s ALA 100 N -3.83 3.29 -0.01 3.13 0.00 -1.26 0.61 121.76 123.69 2bmy s ALA 100 Ca 0.06 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.86 2bmy s ALA 100 Cb -0.02 -1.16 -0.00 0.00 0.00 0.00 0.00 23.12 21.94 2bmy s ALA 100 CO -0.05 0.64 -0.07 0.71 0.00 0.00 0.00 175.76 176.99 2bmy s TYR 101 N -1.43 0.72 0.00 0.00 1.51 0.95 -4.99 117.35 114.11 2bmy s TYR 101 Ca 0.26 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 56.18 2bmy s TYR 101 Cb -0.11 -0.49 0.00 0.00 -0.11 0.00 0.00 41.96 41.25 2bmy s TYR 101 CO 0.19 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.99 2bmy n GLY 102 N 3.09 1.39 3.74 0.71 0.00 -1.26 -2.07 105.19 110.79 2bmy n GLY 102 Ca -0.15 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 2bmy n GLY 102 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2bmy s PRO 103 N 0.00 2.21 -0.05 1.61 0.02 -1.26 -4.97 135.00 132.57 2bmy s PRO 103 Ca 0.00 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.44 2bmy s PRO 103 Cb 0.00 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.61 2bmy s PRO 103 CO 0.00 -1.71 -0.02 -0.06 -0.33 0.00 0.00 177.00 174.88 2bmy s PHE 104 N -2.50 3.06 0.00 6.54 0.40 0.59 -4.77 117.98 121.31 2bmy s PHE 104 Ca 0.67 0.10 0.00 0.00 -0.60 0.00 0.00 56.93 57.10 2bmy s PHE 104 Cb -0.21 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.59 2bmy s PHE 104 CO 0.49 0.43 0.00 0.41 0.70 0.00 0.00 175.22 177.25 2bmy n GLY 105 N 1.89 2.98 1.32 4.36 0.00 -1.26 -1.21 105.19 113.26 2bmy n GLY 105 Ca -0.17 -1.74 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 2bmy n GLY 105 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bmy n ASN 106 N 0.00 3.21 -3.74 1.61 3.02 0.28 -4.73 115.26 114.90 2bmy n ASN 106 Ca 0.00 -3.77 -0.29 0.00 -0.03 0.00 0.00 54.58 50.49 2bmy n ASN 106 Cb 0.00 -0.44 -0.16 0.00 -0.61 0.00 0.00 39.78 38.58 2bmy n ASN 106 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2bmy s THR 107 N -3.83 0.69 0.91 3.41 2.01 -0.81 -4.92 115.64 113.10 2bmy s THR 107 Ca 0.44 -0.90 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 2bmy s THR 107 Cb 0.39 -1.30 0.14 0.00 0.01 0.00 0.00 72.50 71.73 2bmy s THR 107 CO -0.02 -0.38 1.12 -0.83 -0.69 0.00 0.00 174.62 173.82 2bmy s GLY 108 N 1.75 1.58 0.00 4.40 0.00 -1.26 -3.82 107.32 109.98 2bmy s GLY 108 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.33 2bmy s GLY 108 CO -0.15 0.13 0.00 0.61 0.00 0.00 0.00 173.10 173.69 2bmy n GLY 109 N -1.92 0.92 3.64 0.20 0.00 -1.25 -4.74 105.19 102.05 2bmy n GLY 109 Ca 0.06 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2bmy n GLY 109 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bmy s THR 110 N -1.20 4.34 0.89 2.61 -1.32 -0.58 -4.75 115.64 115.63 2bmy s THR 110 Ca 0.00 1.54 -0.11 0.00 -1.21 0.00 0.00 61.69 61.90 2bmy s THR 110 Cb 0.00 -4.29 0.12 0.00 -1.51 0.00 0.00 72.50 66.82 2bmy s THR 110 CO 0.00 -0.47 1.09 -2.16 -2.21 0.00 0.00 174.62 170.87 2bmy s PRO 111 N 3.86 1.32 0.10 7.08 0.04 -1.26 -1.44 135.00 144.71 2bmy s PRO 111 Ca 0.50 0.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 2bmy s PRO 111 Cb -0.14 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.59 2bmy s PRO 111 CO 0.19 -2.20 0.27 -0.59 0.04 0.00 0.00 177.00 174.71 2bmy s PHE 112 N -2.94 0.01 -0.10 0.56 -0.12 -0.70 -4.87 117.98 109.83 2bmy s PHE 112 Ca 0.63 -0.40 -0.28 0.00 -0.05 0.00 0.00 56.93 56.83 2bmy s PHE 112 Cb -0.18 0.06 0.07 0.00 -0.63 0.00 0.00 43.02 42.34 2bmy s PHE 112 CO 0.57 -0.60 0.66 -1.54 -0.05 0.00 0.00 175.22 174.26 2bmy s SER 113 N -2.84 -0.65 -0.40 1.98 1.04 -1.26 -2.36 113.70 109.21 2bmy s SER 113 Ca 0.04 0.85 0.06 0.00 0.48 0.00 0.00 55.95 57.38 2bmy s SER 113 Cb 0.04 0.74 0.21 0.00 0.10 0.00 0.00 66.02 67.11 2bmy s SER 113 CO -0.11 -0.51 0.45 -0.11 0.98 0.00 0.00 173.24 173.94 2bmy n LEU 114 N 1.36 -0.24 -4.76 2.42 7.94 0.58 -4.97 117.00 119.33 2bmy n LEU 114 Ca -0.18 -4.50 -0.39 0.00 -1.11 0.00 0.00 56.01 49.83 2bmy n LEU 114 Cb 0.57 0.61 -0.04 0.00 0.53 0.00 0.00 43.42 45.09 2bmy n LEU 114 CO 0.19 1.98 0.82 -2.16 -1.11 0.00 0.00 177.39 177.11 2bmy s PRO 115 N -0.58 4.43 -0.31 1.96 0.04 -1.26 -3.00 135.00 136.28 2bmy s PRO 115 Ca 0.34 1.83 0.01 0.00 0.04 0.00 0.00 61.00 63.22 2bmy s PRO 115 Cb 0.11 -2.99 0.07 0.00 0.04 0.00 0.00 34.50 31.73 2bmy s PRO 115 CO -0.15 0.02 0.01 0.42 0.04 0.00 0.00 177.00 177.33 2bmy s ILE 116 N -1.27 2.63 0.13 0.56 1.01 -0.60 -4.97 121.20 118.69 2bmy s ILE 116 Ca 0.49 -1.77 -0.12 0.00 0.00 0.00 0.00 60.65 59.25 2bmy s ILE 116 Cb -0.31 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2bmy s ILE 116 CO 0.40 -0.27 1.49 0.00 0.00 0.00 0.00 174.94 176.56 2bmy h ALA 117 N 7.85 0.55 -3.34 9.38 0.00 -1.94 -3.43 119.26 128.33 2bmy h ALA 117 Ca -0.16 -0.40 -0.31 0.00 0.00 0.00 0.00 54.91 54.04 2bmy h ALA 117 Cb 1.04 -0.13 -0.35 0.00 0.00 0.00 0.00 17.79 18.35 2bmy h ALA 117 CO 0.53 0.57 -0.69 0.00 0.00 0.00 0.00 179.25 179.66 2bmy s ALA 118 N -4.51 0.02 0.00 0.00 0.00 -1.26 -5.11 121.76 110.89 2bmy s ALA 118 Ca -0.12 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2bmy s ALA 118 Cb 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2bmy s ALA 118 CO 0.85 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.72 2bmy n GLY 119 N 4.70 0.07 3.65 0.00 0.00 -1.25 -4.92 105.19 107.45 2bmy n GLY 119 Ca -0.17 -2.29 -0.09 0.00 0.00 0.00 0.00 46.02 43.48 2bmy n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bmy s LYS 120 N -0.08 1.55 -0.16 1.61 -2.85 0.13 -4.84 119.74 115.10 2bmy s LYS 120 Ca 0.00 -0.93 -0.22 0.00 -1.00 0.00 0.00 55.97 53.83 2bmy s LYS 120 Cb 0.00 0.55 -0.03 0.00 -2.06 0.00 0.00 37.83 36.30 2bmy s LYS 120 CO 0.00 -0.68 0.65 0.42 0.10 0.00 0.00 175.35 175.84 2bmy s ILE 121 N -3.90 5.03 -0.77 3.79 1.01 -0.70 -0.68 121.20 124.98 2bmy s ILE 121 Ca 0.11 1.27 0.07 0.00 0.00 0.00 0.00 60.65 62.10 2bmy s ILE 121 Cb -0.03 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.49 2bmy s ILE 121 CO 0.02 0.15 0.61 -1.54 0.00 0.00 0.00 174.94 174.18 2bmy n SER 122 N 4.68 1.26 0.00 3.58 3.41 -0.44 -4.59 113.62 121.51 2bmy n SER 122 Ca -0.01 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 2bmy n SER 122 Cb 0.50 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 2bmy n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bmy n GLY 123 N 0.63 -0.99 3.37 5.00 0.00 -1.25 -1.01 105.19 110.95 2bmy n GLY 123 Ca 0.04 -1.01 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 2bmy n GLY 123 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bmy s PHE 124 N -2.00 1.69 0.08 1.61 0.08 -1.26 -1.04 117.98 117.13 2bmy s PHE 124 Ca 0.00 -1.14 -0.27 0.00 0.12 0.00 0.00 56.93 55.64 2bmy s PHE 124 Cb 0.00 -1.03 0.09 0.00 -0.57 0.00 0.00 43.02 41.51 2bmy s PHE 124 CO 0.00 -0.25 1.11 -0.59 -0.10 0.00 0.00 175.22 175.39 2bmy s PHE 125 N -3.57 -0.08 0.00 0.36 -0.12 -1.18 -1.11 117.98 112.27 2bmy s PHE 125 Ca 0.36 -0.13 0.00 0.00 -0.05 0.00 0.00 56.93 57.11 2bmy s PHE 125 Cb 0.08 0.60 0.00 0.00 -0.63 0.00 0.00 43.02 43.07 2bmy s PHE 125 CO 0.15 -0.58 0.00 0.41 -0.05 0.00 0.00 175.22 175.14 2bmy n GLY 126 N -0.49 0.20 3.22 1.99 0.00 0.30 -0.41 105.19 110.00 2bmy n GLY 126 Ca -0.07 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 2bmy n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bmy s ARG 127 N -0.55 0.51 0.09 1.61 0.52 -0.60 -0.43 118.95 120.10 2bmy s ARG 127 Ca 0.00 0.11 -0.11 0.00 -0.52 0.00 0.00 55.73 55.20 2bmy s ARG 127 Cb 0.00 0.23 0.01 0.00 0.52 0.00 0.00 34.95 35.72 2bmy s ARG 127 CO 0.00 -0.11 0.26 0.20 0.02 0.00 0.00 175.30 175.67 2bmy s GLY 128 N -0.60 -0.03 0.00 -3.53 0.00 0.79 -1.73 107.32 102.22 2bmy s GLY 128 Ca -0.07 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.26 2bmy s GLY 128 CO 0.02 -0.60 0.00 0.61 0.00 0.00 0.00 173.10 173.13 2bmy n GLY 129 N -0.02 2.19 0.21 0.20 0.00 -1.26 0.45 105.19 106.96 2bmy n GLY 129 Ca -0.16 0.25 0.03 0.00 0.00 0.00 0.00 46.02 46.14 2bmy n GLY 129 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2bmy h LYS 130 N 0.00 0.07 0.00 1.61 3.64 -1.90 0.44 116.57 120.43 2bmy h LYS 130 Ca 0.00 -0.02 -0.53 0.00 -1.27 0.00 0.00 60.65 58.83 2bmy h LYS 130 Cb 0.00 -0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 31.69 2bmy h LYS 130 CO 0.00 0.33 -0.47 1.19 -2.27 0.00 0.00 179.45 178.24 2bmy n PHE 131 N -4.20 -0.21 -2.75 1.91 3.01 -1.26 -2.62 117.46 111.34 2bmy n PHE 131 Ca -0.02 -2.70 -0.42 0.00 1.01 0.00 0.00 57.45 55.32 2bmy n PHE 131 Cb 0.33 0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.87 2bmy n PHE 131 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 2bmy s LEU 132 N 0.00 4.11 0.05 4.37 2.96 -0.16 -4.10 118.68 125.90 2bmy s LEU 132 Ca 0.28 -1.17 -0.24 0.00 -0.22 0.00 0.00 54.13 52.78 2bmy s LEU 132 Cb 0.01 -2.47 -0.17 0.00 0.50 0.00 0.00 46.19 44.06 2bmy s LEU 132 CO 0.20 -1.46 1.55 0.44 -1.32 0.00 0.00 176.35 175.76 2bmy h ASP 133 N 9.56 -0.03 -5.10 3.68 3.32 -1.64 -2.46 116.42 123.75 2bmy h ASP 133 Ca -0.11 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.67 2bmy h ASP 133 Cb 1.05 0.01 -0.15 0.00 0.22 0.00 0.00 39.33 40.45 2bmy h ASP 133 CO 1.23 0.16 -0.29 0.00 -1.72 0.00 0.00 179.24 178.62 2bmy s ALA 134 N -5.45 -0.49 -0.16 3.45 0.00 -0.82 -2.37 121.76 115.92 2bmy s ALA 134 Ca -0.14 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 2bmy s ALA 134 Cb 0.04 0.42 0.05 0.00 0.00 0.00 0.00 23.12 23.64 2bmy s ALA 134 CO 0.66 -0.47 0.41 -1.50 0.00 0.00 0.00 175.76 174.86 2bmy s ILE 135 N -3.20 -0.01 0.16 0.00 2.07 -0.81 -1.55 121.20 117.86 2bmy s ILE 135 Ca -0.00 0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.29 2bmy s ILE 135 Cb 0.02 -0.59 -0.00 0.00 0.13 0.00 0.00 42.46 42.01 2bmy s ILE 135 CO -0.07 0.02 0.04 0.61 -1.91 0.00 0.00 174.94 173.63 2bmy n GLY 136 N 3.51 3.82 3.24 1.50 0.00 0.45 -2.04 105.19 115.67 2bmy n GLY 136 Ca -0.18 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.69 2bmy n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bmy s VAL 137 N -2.02 0.12 -0.02 1.61 -7.23 -0.89 -3.11 120.40 108.86 2bmy s VAL 137 Ca 0.06 -0.96 -0.09 0.00 -1.81 0.00 0.00 61.98 59.18 2bmy s VAL 137 Cb 0.00 -1.23 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 2bmy s VAL 137 CO 0.04 -0.53 0.29 -0.31 -0.31 0.00 0.00 175.10 174.29 2bmy s TYR 138 N -3.65 3.62 0.00 2.82 1.51 -0.21 -1.87 117.35 119.59 2bmy s TYR 138 Ca 0.03 0.70 0.08 0.00 -1.01 0.00 0.00 57.07 56.87 2bmy s TYR 138 Cb 0.03 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 2bmy s TYR 138 CO -0.10 0.64 -0.24 -0.51 -1.11 0.00 0.00 175.55 174.23 2bmy s LEU 139 N -1.43 2.09 0.03 -1.29 1.43 -0.03 -1.33 118.68 118.15 2bmy s LEU 139 Ca 0.24 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2bmy s LEU 139 Cb -0.14 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 2bmy s LEU 139 CO 0.13 0.27 -0.02 -1.61 0.23 0.00 0.00 176.35 175.35 2bmy s GLU 140 N -0.78 0.42 0.00 1.70 2.02 0.14 -4.40 118.70 117.80 2bmy s GLU 140 Ca 0.10 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.28 2bmy s GLU 140 Cb -0.09 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.29 2bmy s GLU 140 CO 0.00 -0.08 0.17 -2.30 0.02 0.00 0.00 175.26 173.08