#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bsb s VAL 2 N 0.00 0.05 0.01 0.00 0.11 -1.26 -1.01 120.40 118.31 2bsb s VAL 2 Ca 0.00 -0.42 -0.17 0.00 -2.93 0.00 0.00 61.98 58.47 2bsb s VAL 2 Cb 0.00 -0.54 0.03 0.00 -1.53 0.00 0.00 36.38 34.34 2bsb s VAL 2 CO 0.00 -0.23 0.36 -0.94 -3.33 0.00 0.00 175.10 170.96 2bsb s SER 3 N -1.03 -0.23 -0.09 3.54 1.04 -0.44 -4.97 113.70 111.53 2bsb s SER 3 Ca -0.11 0.04 -0.20 0.00 0.48 0.00 0.00 55.95 56.15 2bsb s SER 3 Cb -0.05 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2bsb s SER 3 CO 0.03 -0.56 0.57 0.12 0.98 0.00 0.00 173.24 174.38 2bsb s PHE 4 N -1.93 3.56 -0.01 5.02 5.36 -1.26 -0.66 117.98 128.06 2bsb s PHE 4 Ca -0.09 1.06 0.01 0.00 -0.96 0.00 0.00 56.93 56.95 2bsb s PHE 4 Cb -0.03 -2.65 0.01 0.00 -0.34 0.00 0.00 43.02 40.02 2bsb s PHE 4 CO 0.01 0.16 0.71 0.44 -1.46 0.00 0.00 175.22 175.08 2bsb n ILE 5 N 3.59 0.36 -2.93 3.12 -5.35 -0.41 -4.92 119.36 112.82 2bsb n ILE 5 Ca -0.05 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 2bsb n ILE 5 Cb 0.51 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 2bsb n ILE 5 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bsb n GLY 6 N -0.20 2.87 3.81 3.28 0.00 -0.94 -4.79 105.19 109.22 2bsb n GLY 6 Ca 0.01 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 2bsb n GLY 6 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bsb s SER 7 N -0.82 6.03 0.01 1.61 0.15 -1.26 -5.03 113.70 114.39 2bsb s SER 7 Ca 0.00 0.35 -0.25 0.00 0.70 0.00 0.00 55.95 56.75 2bsb s SER 7 Cb 0.00 -1.90 -0.19 0.00 -1.71 0.00 0.00 66.02 62.22 2bsb s SER 7 CO 0.00 0.38 1.41 0.74 1.20 0.00 0.00 173.24 176.97 2bsb h THR 8 N 4.09 1.27 -2.77 6.45 2.02 -1.93 -3.43 112.91 118.60 2bsb h THR 8 Ca -0.53 -0.79 -0.66 0.00 0.77 0.00 0.00 66.41 65.21 2bsb h THR 8 Cb 1.21 1.80 -0.08 0.00 -1.74 0.00 0.00 68.15 69.35 2bsb h THR 8 CO 0.58 0.21 -0.48 -1.61 0.37 0.00 0.00 175.52 174.58 2bsb s GLU 9 N -4.85 3.59 -0.03 6.66 0.41 -1.26 -0.88 118.70 122.34 2bsb s GLU 9 Ca -0.15 -0.15 -0.00 0.00 -0.41 0.00 0.00 54.97 54.26 2bsb s GLU 9 Cb 0.03 -3.24 0.03 0.00 -1.78 0.00 0.00 34.13 29.17 2bsb s GLU 9 CO 0.67 0.68 0.02 -0.80 -0.49 0.00 0.00 175.26 175.34 2bsb s ASN 10 N -0.74 0.61 0.19 -0.19 0.01 -0.86 -4.96 114.94 109.00 2bsb s ASN 10 Ca 0.14 0.00 -0.27 0.00 -0.71 0.00 0.00 52.86 52.02 2bsb s ASN 10 Cb -0.12 -0.19 -0.08 0.00 0.41 0.00 0.00 41.25 41.27 2bsb s ASN 10 CO 0.03 -0.15 0.85 -1.81 -1.51 0.00 0.00 177.10 174.51 2bsb s ASP 11 N 1.36 7.50 -0.21 -1.22 1.01 -1.26 -0.41 116.67 123.44 2bsb s ASP 11 Ca -0.05 1.77 -0.05 0.00 0.71 0.00 0.00 52.55 54.93 2bsb s ASP 11 Cb -0.13 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 2bsb s ASP 11 CO -0.03 0.18 0.00 -0.69 0.21 0.00 0.00 175.17 174.85 2bsb s VAL 12 N -1.12 3.92 0.00 -1.27 1.01 0.31 -4.67 120.40 118.58 2bsb s VAL 12 Ca 0.38 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2bsb s VAL 12 Cb -0.24 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2bsb s VAL 12 CO 0.29 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.41 2bsb n GLY 13 N 4.39 -2.05 3.75 4.51 0.00 -0.47 -1.84 105.19 113.48 2bsb n GLY 13 Ca -0.17 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 2bsb n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bsb s PRO 14 N -3.72 4.51 1.06 1.61 0.04 -1.26 -4.53 135.00 132.70 2bsb s PRO 14 Ca 0.00 1.93 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 2bsb s PRO 14 Cb 0.00 -3.19 0.21 0.00 0.04 0.00 0.00 34.50 31.56 2bsb s PRO 14 CO 0.00 -0.01 0.98 0.45 0.04 0.00 0.00 177.00 178.47 2bsb n SER 15 N 1.70 -0.92 0.00 6.66 2.88 -1.26 -3.82 113.62 118.85 2bsb n SER 15 Ca 0.02 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2bsb n SER 15 Cb 0.44 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 2bsb n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bsb n GLN 16 N -4.34 0.00 -0.59 -1.46 3.00 -1.15 -4.89 117.38 107.94 2bsb n GLN 16 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2bsb n GLN 16 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.78 2bsb n GLN 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2bsb n GLY 17 N 0.00 0.00 3.19 1.08 0.00 -1.25 -5.44 105.19 102.78 2bsb n GLY 17 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2bsb n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bsb s SER 18 N -0.88 2.23 0.02 1.61 0.15 -1.26 -2.73 113.70 112.84 2bsb s SER 18 Ca 0.00 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.32 2bsb s SER 18 Cb 0.00 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.05 2bsb s SER 18 CO 0.00 0.22 -0.10 -0.31 1.20 0.00 0.00 173.24 174.25 2bsb s TYR 19 N -0.48 0.90 -0.19 3.44 2.02 0.13 -4.98 117.35 118.19 2bsb s TYR 19 Ca 0.07 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 2bsb s TYR 19 Cb -0.07 -0.55 0.04 0.00 -0.40 0.00 0.00 41.96 40.97 2bsb s TYR 19 CO -0.00 -0.01 -0.12 -1.12 -1.57 0.00 0.00 175.55 172.73 2bsb s SER 20 N -0.87 3.34 0.05 2.29 0.01 -1.26 0.20 113.70 117.45 2bsb s SER 20 Ca -0.00 -0.84 -0.03 0.00 1.31 0.00 0.00 55.95 56.39 2bsb s SER 20 Cb -0.06 -1.27 -0.03 0.00 0.21 0.00 0.00 66.02 64.86 2bsb s SER 20 CO 0.00 -0.12 0.03 -0.76 0.41 0.00 0.00 173.24 172.80 2bsb s LEU 28 N 1.38 2.18 0.35 2.44 1.02 -1.26 -5.00 118.68 119.78 2bsb s LEU 28 Ca -0.00 -0.81 -0.26 0.00 0.02 0.00 0.00 54.13 53.08 2bsb s LEU 28 Cb -0.16 0.39 -0.09 0.00 0.02 0.00 0.00 46.19 46.35 2bsb s LEU 28 CO -0.09 -0.57 1.09 -2.16 0.02 0.00 0.00 176.35 174.65 2bsb s PRO 29 N -3.39 4.34 -0.12 1.29 0.04 -1.26 -5.15 135.00 130.75 2bsb s PRO 29 Ca 0.02 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 2bsb s PRO 29 Cb 0.04 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 2bsb s PRO 29 CO -0.08 -0.03 0.25 -0.06 0.04 0.00 0.00 177.00 177.12 2bsb s PHE 30 N -1.41 3.56 -0.38 0.56 2.99 -1.12 -4.90 117.98 117.27 2bsb s PHE 30 Ca 0.52 0.63 -0.07 0.00 0.00 0.00 0.00 56.93 58.01 2bsb s PHE 30 Cb -0.28 -2.18 0.06 0.00 0.00 0.00 0.00 43.02 40.63 2bsb s PHE 30 CO 0.35 0.50 0.18 0.08 -0.00 0.00 0.00 175.22 176.33 2bsb s VAL 31 N -0.39 3.90 -0.34 -0.44 1.01 -1.26 -0.51 120.40 122.37 2bsb s VAL 31 Ca 0.17 -1.36 -0.28 0.00 0.00 0.00 0.00 61.98 60.51 2bsb s VAL 31 Cb -0.13 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 2bsb s VAL 31 CO 0.05 -0.38 1.99 -0.31 0.00 0.00 0.00 175.10 176.46 2bsb s TYR 32 N 1.38 1.52 -0.72 5.22 1.51 -0.92 -4.90 117.35 120.45 2bsb s TYR 32 Ca 0.01 0.71 -0.24 0.00 -1.01 0.00 0.00 57.07 56.54 2bsb s TYR 32 Cb -0.21 -4.01 0.06 0.00 -0.11 0.00 0.00 41.96 37.69 2bsb s TYR 32 CO 0.02 -3.19 1.12 0.34 -1.11 0.00 0.00 175.55 172.72 2bsb s ASP 33 N 7.58 6.21 -0.10 2.29 -1.08 -1.26 -4.02 116.67 126.28 2bsb s ASP 33 Ca 0.87 -0.86 0.17 0.00 -0.52 0.00 0.00 52.55 52.20 2bsb s ASP 33 Cb -0.24 -2.48 0.62 0.00 -1.46 0.00 0.00 42.92 39.36 2bsb s ASP 33 CO 0.32 -1.58 1.54 0.35 0.52 0.00 0.00 175.17 176.32 2bsb n THR 34 N 6.12 1.77 -0.26 1.71 -2.24 -1.26 -5.06 114.28 115.07 2bsb n THR 34 Ca 0.02 -1.28 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 2bsb n THR 34 Cb 0.47 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2bsb n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bsb n GLY 35 N 0.77 3.57 0.98 3.38 0.00 -1.26 -1.87 105.19 110.76 2bsb n GLY 35 Ca 0.23 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.22 2bsb n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bsb n TYR 36 N 14.00 0.74 -0.27 1.61 4.01 -1.26 -4.66 117.16 131.32 2bsb n TYR 36 Ca 0.00 -0.52 -0.04 0.00 -0.16 0.00 0.00 57.90 57.18 2bsb n TYR 36 Cb 0.00 -0.04 0.07 0.00 -0.31 0.00 0.00 39.34 39.06 2bsb n TYR 36 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 2bsb h ASN 37 N 3.04 0.86 -1.65 7.72 2.35 -1.72 -3.26 115.58 122.91 2bsb h ASN 37 Ca 0.00 -0.02 -0.75 0.00 -0.55 0.00 0.00 56.30 54.99 2bsb h ASN 37 Cb 0.90 -0.21 -0.16 0.00 0.05 0.00 0.00 38.32 38.90 2bsb h ASN 37 CO 0.02 0.61 1.79 -0.38 -1.65 0.00 0.00 177.43 177.82 2bsb n ILE 38 N -4.57 4.28 -3.03 2.81 5.41 -1.26 -4.54 119.36 118.46 2bsb n ILE 38 Ca 0.08 -4.50 0.00 0.00 1.00 0.00 0.00 62.75 59.33 2bsb n ILE 38 Cb 0.03 -2.41 0.00 0.00 -0.71 0.00 0.00 39.64 36.55 2bsb n ILE 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2bsb n GLY 39 N 3.41 2.93 2.95 7.39 0.00 -1.23 -0.99 105.19 119.65 2bsb n GLY 39 Ca 0.39 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 2bsb n GLY 39 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bsb s TYR 40 N -5.56 -0.11 -0.10 1.61 5.04 0.26 -1.36 117.35 117.13 2bsb s TYR 40 Ca 0.00 0.31 -0.05 0.00 -2.44 0.00 0.00 57.07 54.89 2bsb s TYR 40 Cb 0.00 -0.01 0.04 0.00 0.35 0.00 0.00 41.96 42.35 2bsb s TYR 40 CO 0.00 -0.08 0.23 -1.14 -1.34 0.00 0.00 175.55 173.22 2bsb s GLN 41 N 0.37 0.19 -0.21 4.97 0.74 -1.26 0.13 119.66 124.59 2bsb s GLN 41 Ca -0.03 0.48 -0.06 0.00 0.05 0.00 0.00 55.36 55.81 2bsb s GLN 41 Cb -0.04 -0.11 0.10 0.00 1.10 0.00 0.00 33.01 34.06 2bsb s GLN 41 CO -0.01 -0.15 0.42 1.21 -0.55 0.00 0.00 175.29 176.20 2bsb s ASN 42 N 1.14 -0.21 0.00 6.67 3.84 -0.80 -5.03 114.94 120.56 2bsb s ASN 42 Ca -0.08 0.89 0.29 0.00 0.21 0.00 0.00 52.86 54.16 2bsb s ASN 42 Cb -0.10 1.33 1.18 0.00 -0.55 0.00 0.00 41.25 43.11 2bsb s ASN 42 CO -0.07 -0.24 1.83 0.00 -2.79 0.00 0.00 177.10 175.83 2bsb n ALA 43 N 5.39 2.78 -3.64 1.71 0.00 -1.26 -0.70 120.51 124.79 2bsb n ALA 43 Ca -0.08 -0.26 -0.28 0.00 0.00 0.00 0.00 53.44 52.83 2bsb n ALA 43 Cb 0.50 -1.33 -0.12 0.00 0.00 0.00 0.00 19.45 18.50 2bsb n ALA 43 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2bsb s ASN 44 N -2.56 3.15 -0.08 0.00 0.01 -1.26 -3.04 114.94 111.15 2bsb s ASN 44 Ca 0.26 -3.14 0.11 0.00 -0.71 0.00 0.00 52.86 49.39 2bsb s ASN 44 Cb 0.20 -0.96 -0.16 0.00 0.41 0.00 0.00 41.25 40.73 2bsb s ASN 44 CO 0.50 -0.18 0.12 0.52 -1.51 0.00 0.00 177.10 176.55 2bsb n VAL 45 N 2.83 0.53 -4.09 1.60 0.31 -0.31 -4.25 118.33 114.95 2bsb n VAL 45 Ca 0.20 -0.43 -0.14 0.00 -0.01 0.00 0.00 64.34 63.96 2bsb n VAL 45 Cb 0.40 -0.37 -0.12 0.00 -0.91 0.00 0.00 33.84 32.84 2bsb n VAL 45 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 2bsb s TRP 46 N -2.50 0.82 -0.28 3.52 0.51 -0.73 -1.29 118.94 119.00 2bsb s TRP 46 Ca -0.05 -0.49 -0.07 0.00 -2.12 0.00 0.00 56.10 53.36 2bsb s TRP 46 Cb 0.05 -0.48 -0.00 0.00 -0.81 0.00 0.00 33.47 32.23 2bsb s TRP 46 CO 0.50 -0.05 0.07 -1.58 -0.51 0.00 0.00 176.95 175.39 2bsb s HIS 47 N -1.38 3.12 0.11 -1.98 2.46 0.17 -1.36 115.29 116.43 2bsb s HIS 47 Ca -0.08 -0.83 0.08 0.00 0.47 0.00 0.00 55.06 54.71 2bsb s HIS 47 Cb -0.10 -2.25 -0.04 0.00 -0.13 0.00 0.00 32.58 30.07 2bsb s HIS 47 CO 0.01 -0.52 -0.21 0.96 -2.47 0.00 0.00 174.74 172.51 2bsb s ILE 48 N 1.53 1.76 0.32 0.89 -4.36 -0.75 -1.32 121.20 119.27 2bsb s ILE 48 Ca 0.04 -1.57 -0.17 0.00 -0.26 0.00 0.00 60.65 58.68 2bsb s ILE 48 Cb -0.16 -1.60 0.03 0.00 1.25 0.00 0.00 42.46 41.98 2bsb s ILE 48 CO 0.03 -0.06 0.71 -0.94 0.24 0.00 0.00 174.94 174.92 2bsb s SER 49 N -1.94 -0.08 -0.91 4.36 1.04 -0.18 -1.16 113.70 114.83 2bsb s SER 49 Ca 0.07 -0.90 -0.07 0.00 0.48 0.00 0.00 55.95 55.53 2bsb s SER 49 Cb -0.10 0.76 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 2bsb s SER 49 CO 0.04 -1.46 0.71 0.61 0.98 0.00 0.00 173.24 174.13 2bsb n GLY 50 N -0.49 -1.18 2.40 7.32 0.00 -1.20 -0.93 105.19 111.12 2bsb n GLY 50 Ca -0.05 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 2bsb n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bsb n GLY 51 N -1.68 1.25 3.73 -0.02 0.00 -0.85 -4.37 105.19 103.25 2bsb n GLY 51 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2bsb n GLY 51 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bsb s PHE 52 N -2.06 3.13 -0.15 1.61 5.36 -1.11 -4.65 117.98 120.10 2bsb s PHE 52 Ca 0.00 0.94 -0.02 0.00 -0.96 0.00 0.00 56.93 56.89 2bsb s PHE 52 Cb 0.00 -3.78 -0.02 0.00 -0.34 0.00 0.00 43.02 38.88 2bsb s PHE 52 CO 0.00 -2.66 -0.08 0.00 -1.46 0.00 0.00 175.22 171.02 2bsb s VAL 54 N 0.45 0.06 0.00 0.00 0.11 -0.13 -2.25 120.40 118.64 2bsb s VAL 54 Ca -0.06 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 2bsb s VAL 54 Cb -0.15 -0.42 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 2bsb s VAL 54 CO 0.04 -0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.14 2bsb n GLY 55 N 1.78 5.30 2.90 6.54 0.00 0.44 -1.58 105.19 120.57 2bsb n GLY 55 Ca -0.20 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 2bsb n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bsb s LEU 56 N 0.00 2.03 0.05 0.99 1.43 -0.52 0.59 118.68 123.25 2bsb s LEU 56 Ca 0.00 -0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.10 2bsb s LEU 56 Cb 0.00 0.03 -0.03 0.00 0.03 0.00 0.00 46.19 46.22 2bsb s LEU 56 CO 0.00 -0.06 -0.25 -1.81 0.23 0.00 0.00 176.35 174.46 2bsb s ASP 57 N -0.28 3.30 0.13 2.29 1.01 -0.28 -0.33 116.67 122.50 2bsb s ASP 57 Ca -0.03 -0.57 0.08 0.00 0.71 0.00 0.00 52.55 52.73 2bsb s ASP 57 Cb -0.02 -0.34 -0.04 0.00 1.01 0.00 0.00 42.92 43.53 2bsb s ASP 57 CO -0.00 0.25 -0.18 -0.83 0.21 0.00 0.00 175.17 174.62 2bsb s GLY 58 N -1.35 1.25 -0.12 0.21 0.00 0.15 -1.23 107.32 106.23 2bsb s GLY 58 Ca 0.12 -1.35 -0.05 0.00 0.00 0.00 0.00 44.72 43.44 2bsb s GLY 58 CO 0.03 -1.38 0.27 1.25 0.00 0.00 0.00 173.10 173.27 2bsb s LYS 59 N -2.44 0.20 -0.22 2.90 2.36 0.16 -0.61 119.74 122.08 2bsb s LYS 59 Ca 0.10 0.67 -0.07 0.00 -2.55 0.00 0.00 55.97 54.13 2bsb s LYS 59 Cb -0.07 -0.06 -0.03 0.00 -1.05 0.00 0.00 37.83 36.62 2bsb s LYS 59 CO 0.05 -0.22 0.05 0.08 1.55 0.00 0.00 175.35 176.86 2bsb s VAL 60 N 1.87 4.31 -0.48 4.02 1.01 -1.26 -0.09 120.40 129.77 2bsb s VAL 60 Ca -0.04 -0.18 0.23 0.00 0.00 0.00 0.00 61.98 61.99 2bsb s VAL 60 Cb -0.11 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.32 2bsb s VAL 60 CO -0.09 0.38 1.23 0.44 0.00 0.00 0.00 175.10 177.06 2bsb h ASP 61 N 7.77 0.00 -4.08 3.32 3.32 -1.05 -3.39 116.42 122.31 2bsb h ASP 61 Ca -0.37 -0.13 -0.54 0.00 0.02 0.00 0.00 57.03 56.00 2bsb h ASP 61 Cb 1.18 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.86 2bsb h ASP 61 CO 0.61 0.07 0.54 -0.76 -1.72 0.00 0.00 179.24 177.97 2bsb s LEU 62 N -4.73 3.72 0.29 1.55 1.43 -1.22 -4.94 118.68 114.78 2bsb s LEU 62 Ca 0.04 2.60 -0.29 0.00 -1.03 0.00 0.00 54.13 55.44 2bsb s LEU 62 Cb 0.12 -4.47 -0.10 0.00 0.03 0.00 0.00 46.19 41.76 2bsb s LEU 62 CO 0.75 -1.69 1.33 -2.16 0.23 0.00 0.00 176.35 174.81 2bsb s PRO 63 N -3.16 4.35 -0.65 1.29 0.04 -1.26 -4.79 135.00 130.82 2bsb s PRO 63 Ca 0.76 2.19 -0.27 0.00 0.04 0.00 0.00 61.00 63.73 2bsb s PRO 63 Cb -0.36 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.11 2bsb s PRO 63 CO 0.40 -0.23 1.20 0.08 0.04 0.00 0.00 177.00 178.49 2bsb s VAL 64 N -0.72 3.93 -2.31 -0.36 1.01 -1.26 -0.68 120.40 120.01 2bsb s VAL 64 Ca 0.52 0.55 0.26 0.00 0.00 0.00 0.00 61.98 63.31 2bsb s VAL 64 Cb -0.39 -4.80 0.32 0.00 0.00 0.00 0.00 36.38 31.51 2bsb s VAL 64 CO 0.48 -1.57 1.51 1.33 0.00 0.00 0.00 175.10 176.85 2bsb n VAL 65 N 6.46 0.00 -3.24 2.92 0.24 0.15 -4.95 118.33 119.91 2bsb n VAL 65 Ca 0.05 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2bsb n VAL 65 Cb 0.49 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 2bsb n VAL 65 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bsb n GLY 66 N 1.29 -1.23 3.14 7.63 0.00 -1.15 -4.97 105.19 109.91 2bsb n GLY 66 Ca 0.15 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2bsb n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bsb s SER 67 N -4.00 -0.25 -0.05 1.61 0.15 -1.26 -1.09 113.70 108.82 2bsb s SER 67 Ca 0.00 0.45 -0.00 0.00 0.70 0.00 0.00 55.95 57.10 2bsb s SER 67 Cb 0.00 0.49 0.03 0.00 -1.71 0.00 0.00 66.02 64.83 2bsb s SER 67 CO 0.00 -0.12 -0.01 -0.22 1.20 0.00 0.00 173.24 174.09 2bsb s LEU 68 N -0.02 0.98 -1.19 3.45 2.96 0.61 -4.86 118.68 120.62 2bsb s LEU 68 Ca -0.01 -0.06 -0.15 0.00 -0.22 0.00 0.00 54.13 53.68 2bsb s LEU 68 Cb -0.02 -0.34 0.15 0.00 0.50 0.00 0.00 46.19 46.48 2bsb s LEU 68 CO 0.01 -0.12 0.38 -0.67 -1.32 0.00 0.00 176.35 174.62 2bsb n ASP 69 N 4.47 -1.50 0.00 3.68 4.64 -1.26 -0.53 116.55 126.05 2bsb n ASP 69 Ca -0.19 -0.62 0.00 0.00 -1.38 0.00 0.00 54.79 52.60 2bsb n ASP 69 Cb 0.50 -1.35 0.00 0.00 -1.04 0.00 0.00 41.12 39.23 2bsb n ASP 69 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2bsb n GLY 70 N -0.85 2.31 3.83 0.27 0.00 -1.26 -5.08 105.19 104.42 2bsb n GLY 70 Ca 0.08 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2bsb n GLY 70 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bsb s GLN 71 N 0.00 3.03 0.51 1.61 -2.07 0.31 -4.90 119.66 118.15 2bsb s GLN 71 Ca 0.00 -0.76 -0.22 0.00 -1.82 0.00 0.00 55.36 52.57 2bsb s GLN 71 Cb 0.00 -2.75 -0.06 0.00 -1.09 0.00 0.00 33.01 29.11 2bsb s GLN 71 CO 0.00 0.52 1.22 -1.12 -1.32 0.00 0.00 175.29 174.58 2bsb s SER 72 N -2.95 5.76 -0.41 12.60 0.01 -1.00 -0.28 113.70 127.42 2bsb s SER 72 Ca 0.32 2.43 -0.10 0.00 1.31 0.00 0.00 55.95 59.91 2bsb s SER 72 Cb -0.11 -2.61 0.07 0.00 0.21 0.00 0.00 66.02 63.58 2bsb s SER 72 CO 0.24 -1.21 0.25 -0.63 0.41 0.00 0.00 173.24 172.31 2bsb s ILE 73 N -1.51 4.32 -0.00 1.44 1.01 -0.25 -4.54 121.20 121.66 2bsb s ILE 73 Ca 0.68 -1.29 -0.24 0.00 0.00 0.00 0.00 60.65 59.81 2bsb s ILE 73 Cb -0.32 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 2bsb s ILE 73 CO 0.37 -0.46 0.71 -0.31 0.00 0.00 0.00 174.94 175.26 2bsb s TYR 74 N 1.45 3.67 -0.00 3.97 2.02 -0.10 -0.67 117.35 127.69 2bsb s TYR 74 Ca 0.03 1.34 -0.14 0.00 -0.37 0.00 0.00 57.07 57.93 2bsb s TYR 74 Cb -0.22 -2.78 -0.06 0.00 -0.40 0.00 0.00 41.96 38.50 2bsb s TYR 74 CO 0.03 0.22 0.39 0.20 -1.57 0.00 0.00 175.55 174.82 2bsb s GLY 75 N 0.24 2.46 -0.15 0.71 0.00 0.15 0.12 107.32 110.84 2bsb s GLY 75 Ca 0.37 -0.25 -0.08 0.00 0.00 0.00 0.00 44.72 44.76 2bsb s GLY 75 CO 0.20 0.10 -0.20 1.04 0.00 0.00 0.00 173.10 174.25 2bsb n LEU 76 N 1.77 1.09 -4.14 0.66 4.77 -0.64 -4.34 117.00 116.16 2bsb n LEU 76 Ca -0.14 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 2bsb n LEU 76 Cb 0.52 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 2bsb n LEU 76 CO 0.37 0.27 -0.33 0.42 -1.33 0.00 0.00 177.39 176.79 2bsb s THR 77 N -2.29 0.28 -0.39 -5.08 -4.23 -0.72 -4.98 115.64 98.23 2bsb s THR 77 Ca -0.21 -1.89 0.12 0.00 -1.18 0.00 0.00 61.69 58.53 2bsb s THR 77 Cb 0.08 -1.82 0.12 0.00 1.34 0.00 0.00 72.50 72.21 2bsb s THR 77 CO 0.27 -0.71 1.30 1.21 -0.54 0.00 0.00 174.62 176.15 2bsb n GLU 78 N -0.03 0.08 -0.06 3.99 0.00 -1.26 -1.99 120.64 121.37 2bsb n GLU 78 Ca -0.09 0.54 -0.06 0.00 0.00 0.00 0.00 57.16 57.54 2bsb n GLU 78 Cb 0.62 -1.85 -0.09 0.00 0.00 0.00 0.00 31.44 30.13 2bsb n GLU 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2bsb n GLU 79 N -1.90 1.83 -4.92 5.31 4.71 -1.26 -4.81 120.64 119.60 2bsb n GLU 79 Ca -0.01 0.01 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 2bsb n GLU 79 Cb 0.12 -1.30 -0.14 0.00 -1.01 0.00 0.00 31.44 29.10 2bsb n GLU 79 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2bsb s VAL 80 N -2.28 2.36 0.34 2.62 1.01 -0.84 -1.33 120.40 122.27 2bsb s VAL 80 Ca -0.08 -1.24 0.06 0.00 0.00 0.00 0.00 61.98 60.72 2bsb s VAL 80 Cb 0.04 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2bsb s VAL 80 CO 0.46 0.42 0.24 -0.83 0.00 0.00 0.00 175.10 175.38 2bsb s GLY 81 N -1.13 2.33 0.04 4.51 0.00 0.13 -1.62 107.32 111.57 2bsb s GLY 81 Ca 0.12 -1.87 -0.00 0.00 0.00 0.00 0.00 44.72 42.97 2bsb s GLY 81 CO 0.02 -1.54 -0.04 1.08 0.00 0.00 0.00 173.10 172.62 2bsb s LEU 82 N -3.41 2.36 -0.11 0.66 1.43 0.32 0.96 118.68 120.90 2bsb s LEU 82 Ca 0.37 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2bsb s LEU 82 Cb 0.03 0.11 -0.03 0.00 0.03 0.00 0.00 46.19 46.33 2bsb s LEU 82 CO 0.24 -0.43 -0.08 -0.76 0.23 0.00 0.00 176.35 175.55 2bsb s LEU 83 N -2.18 3.05 -0.02 1.79 1.43 -0.89 -0.93 118.68 120.94 2bsb s LEU 83 Ca -0.04 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 52.96 2bsb s LEU 83 Cb -0.02 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 2bsb s LEU 83 CO -0.05 0.26 -0.15 -0.63 0.23 0.00 0.00 176.35 176.00 2bsb s ILE 84 N -0.18 1.23 -0.06 -0.59 1.01 -1.26 -1.95 121.20 119.40 2bsb s ILE 84 Ca 0.02 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.05 2bsb s ILE 84 Cb -0.13 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.31 2bsb s ILE 84 CO 0.03 0.35 -0.17 0.26 0.00 0.00 0.00 174.94 175.40 2bsb s TRP 85 N -0.30 1.82 0.06 3.97 0.51 -0.80 0.07 118.94 124.27 2bsb s TRP 85 Ca 0.05 -0.61 0.03 0.00 -2.12 0.00 0.00 56.10 53.45 2bsb s TRP 85 Cb -0.07 -1.25 -0.03 0.00 -0.81 0.00 0.00 33.47 31.32 2bsb s TRP 85 CO -0.00 -0.24 -0.10 -1.64 -0.51 0.00 0.00 176.95 174.46 2bsb s MET 86 N 0.25 0.69 0.00 4.98 -1.94 -0.90 -2.22 119.30 120.16 2bsb s MET 86 Ca -0.09 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 52.97 2bsb s MET 86 Cb -0.14 -0.48 0.00 0.00 2.01 0.00 0.00 34.83 36.22 2bsb s MET 86 CO 0.04 0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.55 2bsb n GLY 87 N 1.16 -0.52 3.58 -0.03 0.00 -1.12 0.23 105.19 108.50 2bsb n GLY 87 Ca -0.20 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 2bsb n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bsb s ASP 88 N -4.00 1.75 0.13 1.61 2.15 -1.24 -1.86 116.67 115.21 2bsb s ASP 88 Ca 0.00 1.33 -0.26 0.00 0.43 0.00 0.00 52.55 54.05 2bsb s ASP 88 Cb 0.00 -2.06 -0.06 0.00 -0.30 0.00 0.00 42.92 40.50 2bsb s ASP 88 CO 0.00 -3.70 1.38 0.41 -0.17 0.00 0.00 175.17 173.09 2bsb n THR 89 N -4.56 -0.57 -1.83 1.71 -1.04 -1.25 -3.32 114.28 103.41 2bsb n THR 89 Ca 0.04 2.16 -0.42 0.00 -2.04 0.00 0.00 64.05 63.80 2bsb n THR 89 Cb 0.56 -2.69 -0.03 0.00 -1.82 0.00 0.00 70.33 66.36 2bsb n THR 89 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2bsb s ASN 90 N -5.23 6.47 0.17 8.00 0.01 -1.26 -4.27 114.94 118.82 2bsb s ASN 90 Ca -0.10 2.79 -0.15 0.00 -0.71 0.00 0.00 52.86 54.70 2bsb s ASN 90 Cb 0.09 -2.61 0.09 0.00 0.41 0.00 0.00 41.25 39.24 2bsb s ASN 90 CO 0.52 -0.89 1.77 1.88 -1.51 0.00 0.00 177.10 178.87 2bsb h TYR 91 N 6.11 0.33 0.00 2.20 -1.99 -1.97 -2.43 116.97 119.22 2bsb h TYR 91 Ca -0.44 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.31 2bsb h TYR 91 Cb 1.21 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.85 2bsb h TYR 91 CO 0.62 0.15 0.00 -1.13 -0.00 0.00 0.00 178.16 177.81 2bsb n SER 92 N -4.96 0.21 -2.27 3.88 3.41 -1.26 -2.44 113.62 110.19 2bsb n SER 92 Ca 0.03 0.59 -0.30 0.00 -0.26 0.00 0.00 58.87 58.92 2bsb n SER 92 Cb 0.13 -0.62 0.11 0.00 -0.26 0.00 0.00 64.21 63.58 2bsb n SER 92 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bsb n ARG 93 N -1.77 2.48 -2.45 4.33 1.74 -0.91 -4.98 116.66 115.09 2bsb n ARG 93 Ca 0.00 -3.10 -0.25 0.00 -0.77 0.00 0.00 57.85 53.74 2bsb n ARG 93 Cb 0.06 -2.21 0.12 0.00 -1.02 0.00 0.00 32.46 29.41 2bsb n ARG 93 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2bsb s GLY 94 N -1.54 1.76 -0.10 -0.13 0.00 -1.02 -3.68 107.32 102.60 2bsb s GLY 94 Ca 0.60 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.72 2bsb s GLY 94 CO 0.03 -1.00 -0.08 -1.59 0.00 0.00 0.00 173.10 170.46 2bsb s THR 95 N -3.29 0.99 0.18 0.90 2.01 0.14 -4.91 115.64 111.66 2bsb s THR 95 Ca 0.68 -0.29 -0.32 0.00 0.31 0.00 0.00 61.69 62.06 2bsb s THR 95 Cb -0.05 -0.99 -0.11 0.00 0.01 0.00 0.00 72.50 71.36 2bsb s THR 95 CO 0.46 0.35 1.65 0.00 -0.69 0.00 0.00 174.62 176.40 2bsb s ALA 96 N 1.48 3.85 -0.02 7.40 0.00 -1.26 -2.11 121.76 131.11 2bsb s ALA 96 Ca 0.00 1.47 -0.23 0.00 0.00 0.00 0.00 51.96 53.21 2bsb s ALA 96 Cb -0.13 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 2bsb s ALA 96 CO -0.05 -0.88 0.67 -1.64 0.00 0.00 0.00 175.76 173.86 2bsb s MET 97 N 1.27 4.41 -0.04 0.00 -1.94 0.11 -4.96 119.30 118.15 2bsb s MET 97 Ca 0.73 0.86 0.01 0.00 -1.71 0.00 0.00 55.69 55.57 2bsb s MET 97 Cb -0.47 -3.39 0.02 0.00 2.01 0.00 0.00 34.83 33.01 2bsb s MET 97 CO 0.32 0.23 -0.02 -1.12 -0.01 0.00 0.00 175.02 174.42 2bsb s SER 98 N 0.22 0.72 0.00 3.03 0.01 -1.26 -2.37 113.70 114.05 2bsb s SER 98 Ca 0.35 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2bsb s SER 98 Cb -0.18 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.70 2bsb s SER 98 CO 0.19 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2bsb n GLY 99 N 4.11 -1.81 0.53 3.44 0.00 -1.26 -4.67 105.19 105.53 2bsb n GLY 99 Ca -0.25 -1.75 0.05 0.00 0.00 0.00 0.00 46.02 44.06 2bsb n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bsb n ASN 100 N 0.25 1.12 -4.70 1.61 4.13 -1.26 -4.55 115.26 111.85 2bsb n ASN 100 Ca 0.00 -2.59 -0.23 0.00 1.68 0.00 0.00 54.58 53.45 2bsb n ASN 100 Cb 0.00 -0.33 -0.06 0.00 -1.54 0.00 0.00 39.78 37.85 2bsb n ASN 100 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2bsb s SER 101 N -2.03 4.85 0.08 6.41 0.01 -1.26 -4.75 113.70 117.00 2bsb s SER 101 Ca 0.20 -0.51 -0.31 0.00 1.31 0.00 0.00 55.95 56.64 2bsb s SER 101 Cb 0.20 -1.02 -0.09 0.00 0.21 0.00 0.00 66.02 65.32 2bsb s SER 101 CO -0.03 -0.00 1.65 0.26 0.41 0.00 0.00 173.24 175.53 2bsb s TRP 102 N -2.22 2.47 0.15 2.43 0.52 -1.26 -4.59 118.94 116.44 2bsb s TRP 102 Ca 0.31 0.33 0.09 0.00 0.02 0.00 0.00 56.10 56.86 2bsb s TRP 102 Cb -0.07 -3.97 -0.04 0.00 -1.15 0.00 0.00 33.47 28.24 2bsb s TRP 102 CO 0.21 -3.87 -0.19 -1.21 0.02 0.00 0.00 176.95 171.91 2bsb s GLU 103 N 2.51 1.26 -0.12 4.98 0.41 0.22 -4.90 118.70 123.06 2bsb s GLU 103 Ca 0.74 -1.36 -0.30 0.00 -0.41 0.00 0.00 54.97 53.64 2bsb s GLU 103 Cb -0.40 -1.40 -0.02 0.00 -1.78 0.00 0.00 34.13 30.53 2bsb s GLU 103 CO 0.32 0.30 1.18 1.21 -0.49 0.00 0.00 175.26 177.77 2bsb s ASN 104 N -2.48 7.05 0.00 -0.19 3.84 -1.26 0.33 114.94 122.22 2bsb s ASN 104 Ca 0.14 1.68 0.10 0.00 0.21 0.00 0.00 52.86 54.99 2bsb s ASN 104 Cb -0.07 -2.55 -0.06 0.00 -0.55 0.00 0.00 41.25 38.02 2bsb s ASN 104 CO 0.06 -0.64 0.53 1.33 -2.79 0.00 0.00 177.10 175.59 2bsb n VAL 105 N 4.95 0.00 -3.50 -5.21 0.24 0.55 -4.87 118.33 110.49 2bsb n VAL 105 Ca 0.12 -0.32 -0.02 0.00 -2.04 0.00 0.00 64.34 62.08 2bsb n VAL 105 Cb 0.46 1.06 -0.05 0.00 -1.47 0.00 0.00 33.84 33.84 2bsb n VAL 105 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2bsb s PHE 106 N -1.71 -1.27 -0.59 6.34 5.36 -1.10 -4.36 117.98 120.65 2bsb s PHE 106 Ca 0.06 1.90 0.11 0.00 -0.96 0.00 0.00 56.93 58.05 2bsb s PHE 106 Cb 0.08 0.59 0.61 0.00 -0.34 0.00 0.00 43.02 43.96 2bsb s PHE 106 CO 0.35 -0.69 1.35 -1.13 -1.46 0.00 0.00 175.22 173.63 2bsb n SER 107 N 5.43 0.29 0.00 6.13 3.41 -1.26 -1.44 113.62 126.17 2bsb n SER 107 Ca -0.08 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 2bsb n SER 107 Cb 0.50 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2bsb n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bsb n GLY 108 N -1.36 -1.20 3.56 5.00 0.00 -1.26 -4.73 105.19 105.20 2bsb n GLY 108 Ca -0.01 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 2bsb n GLY 108 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2bsb s TRP 109 N -1.65 0.68 -0.10 1.61 1.48 -0.61 -4.94 118.94 115.41 2bsb s TRP 109 Ca 0.00 -1.02 0.00 0.00 -1.06 0.00 0.00 56.10 54.02 2bsb s TRP 109 Cb 0.00 0.13 0.02 0.00 -1.16 0.00 0.00 33.47 32.47 2bsb s TRP 109 CO 0.00 -1.14 -0.09 0.00 -4.06 0.00 0.00 176.95 171.66 2bsb s VAL 111 N 1.44 3.80 0.00 0.00 0.11 -0.49 -4.94 120.40 120.32 2bsb s VAL 111 Ca 0.00 1.07 0.00 0.00 -2.93 0.00 0.00 61.98 60.12 2bsb s VAL 111 Cb -0.13 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 2bsb s VAL 111 CO -0.06 -0.29 0.00 0.61 -3.33 0.00 0.00 175.10 172.03 2bsb n GLY 112 N -0.40 -0.29 2.24 6.54 0.00 -1.26 -2.26 105.19 109.76 2bsb n GLY 112 Ca 0.09 -1.61 -0.17 0.00 0.00 0.00 0.00 46.02 44.33 2bsb n GLY 112 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bsb n ASN 113 N 0.00 5.11 -3.41 1.61 5.15 -1.26 -2.00 115.26 120.46 2bsb n ASN 113 Ca 0.00 -2.33 -0.10 0.00 -0.60 0.00 0.00 54.58 51.55 2bsb n ASN 113 Cb 0.00 -1.19 -0.02 0.00 -0.53 0.00 0.00 39.78 38.04 2bsb n ASN 113 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 2bsb s TYR 114 N 1.93 0.39 -0.21 1.20 -0.85 -1.26 -4.84 117.35 113.70 2bsb s TYR 114 Ca 0.53 -0.84 -0.16 0.00 -0.52 0.00 0.00 57.07 56.09 2bsb s TYR 114 Cb 0.21 0.41 -0.04 0.00 0.38 0.00 0.00 41.96 42.93 2bsb s TYR 114 CO -0.02 -1.27 0.39 0.08 -1.52 0.00 0.00 175.55 173.21 2bsb s VAL 115 N -3.16 5.20 0.00 -3.49 1.01 -1.26 -3.58 120.40 115.12 2bsb s VAL 115 Ca 0.21 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2bsb s VAL 115 Cb -0.03 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2bsb s VAL 115 CO 0.13 0.24 0.00 -0.24 0.00 0.00 0.00 175.10 175.22 2bsb n SER 116 N 4.62 0.00 -4.05 3.32 2.88 -0.31 -5.03 113.62 115.06 2bsb n SER 116 Ca -0.08 -0.26 -0.10 0.00 -1.33 0.00 0.00 58.87 57.10 2bsb n SER 116 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 2bsb n SER 116 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2bsb s THR 117 N -1.52 0.03 -0.11 2.46 -4.23 -1.26 -1.80 115.64 109.21 2bsb s THR 117 Ca 0.00 -1.59 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 2bsb s THR 117 Cb 0.00 -2.13 0.01 0.00 1.34 0.00 0.00 72.50 71.73 2bsb s THR 117 CO 0.00 -0.15 -0.17 -1.58 -0.54 0.00 0.00 174.62 172.18 2bsb s GLN 118 N -4.04 2.37 0.00 3.99 2.00 -0.46 -4.88 119.66 118.64 2bsb s GLN 118 Ca 0.25 -0.62 0.00 0.00 -2.00 0.00 0.00 55.36 52.99 2bsb s GLN 118 Cb 0.03 -1.99 0.00 0.00 0.80 0.00 0.00 33.01 31.85 2bsb s GLN 118 CO 0.06 -0.05 0.00 0.41 -0.50 0.00 0.00 175.29 175.20 2bsb n GLY 119 N 4.18 4.22 3.82 2.59 0.00 -1.17 -1.16 105.19 117.67 2bsb n GLY 119 Ca -0.19 -2.18 -0.06 0.00 0.00 0.00 0.00 46.02 43.59 2bsb n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2bsb s LEU 120 N 0.00 -0.17 0.05 0.99 0.05 0.13 -3.93 118.68 115.80 2bsb s LEU 120 Ca 0.00 -0.62 -0.16 0.00 0.05 0.00 0.00 54.13 53.41 2bsb s LEU 120 Cb 0.00 2.49 0.03 0.00 -2.05 0.00 0.00 46.19 46.66 2bsb s LEU 120 CO 0.00 -1.21 0.35 -0.94 -0.55 0.00 0.00 176.35 174.00 2bsb s SER 121 N -2.99 -0.19 -0.18 1.48 1.04 -0.78 -1.90 113.70 110.18 2bsb s SER 121 Ca 0.13 -0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.34 2bsb s SER 121 Cb -0.04 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.53 2bsb s SER 121 CO 0.06 -0.64 0.44 -0.69 0.98 0.00 0.00 173.24 173.38 2bsb s VAL 122 N -2.56 -0.02 -0.01 5.02 1.01 0.12 -2.78 120.40 121.18 2bsb s VAL 122 Ca -0.05 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 2bsb s VAL 122 Cb -0.01 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.74 2bsb s VAL 122 CO -0.03 0.03 0.19 -1.38 0.00 0.00 0.00 175.10 173.92 2bsb s HIS 123 N 1.43 -0.04 0.21 5.22 -3.43 -0.94 0.89 115.29 118.62 2bsb s HIS 123 Ca -0.10 0.02 0.04 0.00 -0.80 0.00 0.00 55.06 54.23 2bsb s HIS 123 Cb -0.08 0.00 -0.05 0.00 -1.43 0.00 0.00 32.58 31.02 2bsb s HIS 123 CO -0.13 -0.31 -0.04 0.14 -2.00 0.00 0.00 174.74 172.39 2bsb s VAL 124 N -1.30 1.14 -0.07 -5.38 -7.23 -0.17 -1.91 120.40 105.48 2bsb s VAL 124 Ca -0.14 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 57.98 2bsb s VAL 124 Cb -0.07 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.71 2bsb s VAL 124 CO 0.02 -0.47 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.17 2bsb s ARG 125 N -3.81 1.05 0.59 4.82 0.52 -0.82 -4.46 118.95 116.84 2bsb s ARG 125 Ca 0.25 -0.13 -0.19 0.00 -0.52 0.00 0.00 55.73 55.14 2bsb s ARG 125 Cb 0.04 -1.12 -0.05 0.00 0.52 0.00 0.00 34.95 34.34 2bsb s ARG 125 CO 0.06 -0.17 0.96 -2.30 0.02 0.00 0.00 175.30 173.88 2bsb n PRO 126 N 4.50 0.92 -3.98 3.54 -0.02 -1.26 -2.10 135.00 136.60 2bsb n PRO 126 Ca -0.17 0.36 -0.20 0.00 -2.02 0.00 0.00 63.50 61.46 2bsb n PRO 126 Cb 0.51 -2.16 -0.17 0.00 -0.02 0.00 0.00 33.50 31.66 2bsb n PRO 126 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2bsb s VAL 127 N -1.51 0.39 -0.24 -1.45 1.01 0.27 -2.16 120.40 116.72 2bsb s VAL 127 Ca 0.75 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.53 2bsb s VAL 127 Cb -0.42 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2bsb s VAL 127 CO 0.48 0.22 0.65 -0.63 0.00 0.00 0.00 175.10 175.81 2bsb s ILE 128 N 1.27 4.98 -0.12 2.22 -1.09 0.34 0.20 121.20 128.99 2bsb s ILE 128 Ca -0.06 1.19 0.20 0.00 -2.23 0.00 0.00 60.65 59.75 2bsb s ILE 128 Cb -0.13 -3.96 -0.24 0.00 -1.58 0.00 0.00 42.46 36.55 2bsb s ILE 128 CO -0.02 0.04 0.49 0.18 -1.23 0.00 0.00 174.94 174.40 2bsb n LEU 129 N 5.55 0.28 0.00 2.97 4.77 -0.44 -2.81 117.00 127.32 2bsb n LEU 129 Ca -0.00 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2bsb n LEU 129 Cb 0.49 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2bsb n LEU 129 CO 0.44 0.16 0.00 -1.22 -1.33 0.00 0.00 177.39 175.44 2bsb n TYR 137 N -2.59 0.00 -4.07 -1.77 4.02 0.06 -4.83 117.16 107.98 2bsb n TYR 137 Ca -0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.67 2bsb n TYR 137 Cb 0.80 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.02 2bsb n TYR 137 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2bsb s SER 138 N 0.00 0.51 -0.02 7.72 1.04 -1.26 -1.08 113.70 120.61 2bsb s SER 138 Ca 0.00 -0.85 0.02 0.00 0.48 0.00 0.00 55.95 55.60 2bsb s SER 138 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2bsb s SER 138 CO 0.00 -0.49 -0.08 -0.69 0.98 0.00 0.00 173.24 172.96 2bsb s VAL 139 N -3.13 0.66 0.21 5.02 1.01 -0.46 -5.00 120.40 118.70 2bsb s VAL 139 Ca 0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 2bsb s VAL 139 Cb 0.02 -0.58 -0.07 0.00 0.00 0.00 0.00 36.38 35.75 2bsb s VAL 139 CO -0.07 0.21 0.50 -1.10 0.00 0.00 0.00 175.10 174.64 2bsb s GLN 140 N 0.11 3.73 0.07 2.72 -1.52 -1.26 -2.77 119.66 120.74 2bsb s GLN 140 Ca -0.01 0.14 -0.35 0.00 -1.95 0.00 0.00 55.36 53.18 2bsb s GLN 140 Cb -0.07 -2.71 -0.15 0.00 -0.22 0.00 0.00 33.01 29.87 2bsb s GLN 140 CO 0.00 0.35 1.57 0.36 -0.25 0.00 0.00 175.29 177.32 2bsb n LYS 141 N -0.16 1.78 -4.17 2.91 2.85 -1.26 -4.70 118.16 115.43 2bsb n LYS 141 Ca -0.01 0.65 -0.16 0.00 -1.05 0.00 0.00 58.31 57.74 2bsb n LYS 141 Cb 0.52 -2.38 -0.13 0.00 -0.65 0.00 0.00 35.03 32.39 2bsb n LYS 141 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bsb s THR 142 N 1.48 0.68 0.23 0.58 2.01 -1.03 -4.95 115.64 114.65 2bsb s THR 142 Ca 0.84 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 2bsb s THR 142 Cb -0.79 -0.66 -0.10 0.00 0.01 0.00 0.00 72.50 70.95 2bsb s THR 142 CO 0.45 -0.15 1.48 -0.55 -0.69 0.00 0.00 174.62 175.16 2bsb s SER 143 N -1.09 6.61 -0.18 3.53 0.15 -1.26 -0.91 113.70 120.56 2bsb s SER 143 Ca -0.04 2.68 -0.16 0.00 0.70 0.00 0.00 55.95 59.13 2bsb s SER 143 Cb -0.07 -2.62 -0.07 0.00 -1.71 0.00 0.00 66.02 61.55 2bsb s SER 143 CO 0.01 -0.75 -0.33 -0.38 1.20 0.00 0.00 173.24 172.99 2bsb n ILE 144 N 2.69 1.47 -0.74 6.45 5.41 0.41 -4.66 119.36 130.40 2bsb n ILE 144 Ca 0.08 0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.90 2bsb n ILE 144 Cb 0.40 -2.22 0.00 0.00 -0.71 0.00 0.00 39.64 37.11 2bsb n ILE 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2bsb n GLY 145 N 1.57 -0.68 3.52 7.39 0.00 -1.20 -0.38 105.19 115.41 2bsb n GLY 145 Ca -0.20 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 2bsb n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bsb s SER 146 N -4.00 -0.05 -0.01 1.61 0.01 0.87 -1.20 113.70 110.92 2bsb s SER 146 Ca 0.00 -1.00 0.01 0.00 1.31 0.00 0.00 55.95 56.26 2bsb s SER 146 Cb 0.00 0.55 0.01 0.00 0.21 0.00 0.00 66.02 66.79 2bsb s SER 146 CO 0.00 -1.09 -0.01 -0.63 0.41 0.00 0.00 173.24 171.92 2bsb s ILE 147 N -4.04 0.14 0.04 1.44 1.01 -0.69 -0.67 121.20 118.43 2bsb s ILE 147 Ca 0.25 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.94 2bsb s ILE 147 Cb 0.01 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.29 2bsb s ILE 147 CO 0.09 0.07 -0.15 0.00 0.00 0.00 0.00 174.94 174.96 2bsb s ARG 148 N 0.32 0.99 0.41 2.79 1.70 -0.36 -1.02 118.95 123.79 2bsb s ARG 148 Ca -0.03 -0.77 -0.23 0.00 -0.47 0.00 0.00 55.73 54.23 2bsb s ARG 148 Cb -0.05 -1.02 -0.09 0.00 -0.57 0.00 0.00 34.95 33.22 2bsb s ARG 148 CO -0.01 0.25 1.03 0.00 -1.08 0.00 0.00 175.30 175.50 2bsb s MET 149 N -1.12 4.12 -0.48 3.89 0.23 -0.30 -1.13 119.30 124.51 2bsb s MET 149 Ca 0.02 1.44 0.04 0.00 -1.03 0.00 0.00 55.69 56.17 2bsb s MET 149 Cb -0.08 -2.44 0.12 0.00 -1.53 0.00 0.00 34.83 30.91 2bsb s MET 149 CO 0.01 -0.17 0.22 0.50 -2.03 0.00 0.00 175.02 173.55 2bsb s ARG 150 N -2.67 1.82 0.61 3.16 3.52 0.20 -4.84 118.95 120.74 2bsb s ARG 150 Ca 0.60 -2.42 -0.18 0.00 -0.13 0.00 0.00 55.73 53.60 2bsb s ARG 150 Cb -0.20 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 2bsb s ARG 150 CO 0.25 -1.08 1.17 -2.14 -0.81 0.00 0.00 175.30 172.69 2bsb s PRO 151 N -0.00 2.95 0.07 5.12 0.02 -1.26 -0.42 135.00 141.48 2bsb s PRO 151 Ca 0.16 1.69 -0.05 0.00 0.02 0.00 0.00 61.00 62.82 2bsb s PRO 151 Cb -0.24 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.35 2bsb s PRO 151 CO -0.02 -1.19 0.24 2.48 -0.33 0.00 0.00 177.00 178.18 2bsb n TYR 152 N -1.78 -1.06 -2.19 6.54 0.18 -0.95 -4.88 117.16 113.01 2bsb n TYR 152 Ca 0.13 -0.41 -0.19 0.00 1.88 0.00 0.00 57.90 59.31 2bsb n TYR 152 Cb 0.50 0.20 -0.03 0.00 -0.38 0.00 0.00 39.34 39.64 2bsb n TYR 152 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 2bsb n ASN 153 N -0.94 -5.26 0.00 9.48 5.15 -1.26 -1.09 115.26 121.34 2bsb n ASN 153 Ca -0.01 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 2bsb n ASN 153 Cb 0.15 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 34.94 2bsb n ASN 153 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bsb n GLY 154 N -0.81 2.36 3.75 8.20 0.00 -1.26 -4.96 105.19 112.47 2bsb n GLY 154 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 2bsb n GLY 154 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bsb s SER 155 N 0.07 4.98 0.02 1.61 0.01 -0.25 -5.05 113.70 115.09 2bsb s SER 155 Ca 0.00 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.55 2bsb s SER 155 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 2bsb s SER 155 CO 0.00 -1.73 -0.04 -0.94 0.41 0.00 0.00 173.24 170.95 2bsb s SER 156 N -1.90 0.31 0.00 2.44 1.04 -1.26 -3.50 113.70 110.84 2bsb s SER 156 Ca 0.74 -0.51 0.24 0.00 0.48 0.00 0.00 55.95 56.90 2bsb s SER 156 Cb -0.28 0.09 1.04 0.00 0.10 0.00 0.00 66.02 66.97 2bsb s SER 156 CO 0.37 -0.29 1.77 0.00 0.98 0.00 0.00 173.24 176.07 2bsb n ALA 157 N 1.58 2.10 -0.98 5.32 0.00 -1.26 -4.93 120.51 122.34 2bsb n ALA 157 Ca -0.24 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2bsb n ALA 157 Cb 0.55 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2bsb n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bsb n GLY 158 N 0.95 3.85 0.21 0.00 0.00 -1.26 -1.53 105.19 107.40 2bsb n GLY 158 Ca 0.06 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.15 2bsb n GLY 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bsb n SER 159 N 6.18 2.07 -4.80 1.61 3.41 -1.26 -5.04 113.62 115.78 2bsb n SER 159 Ca 0.00 -3.14 -0.34 0.00 -0.26 0.00 0.00 58.87 55.13 2bsb n SER 159 Cb 0.00 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 2bsb n SER 159 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2bsb s VAL 160 N -2.71 3.93 -0.07 -3.33 1.01 -0.59 -4.94 120.40 113.71 2bsb s VAL 160 Ca 0.31 1.26 -0.36 0.00 0.00 0.00 0.00 61.98 63.18 2bsb s VAL 160 Cb 0.28 -3.54 -0.14 0.00 0.00 0.00 0.00 36.38 32.98 2bsb s VAL 160 CO 0.01 -0.21 1.73 1.67 0.00 0.00 0.00 175.10 178.30 2bsb n GLN 161 N -0.70 1.78 -0.01 2.72 7.27 -1.26 -4.86 117.38 122.32 2bsb n GLN 161 Ca 0.08 0.65 0.09 0.00 0.07 0.00 0.00 57.00 57.89 2bsb n GLN 161 Cb 0.52 -2.42 -0.15 0.00 2.41 0.00 0.00 30.24 30.61 2bsb n GLN 161 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2bsb n THR 162 N 4.39 0.04 -4.96 1.69 -2.24 -1.26 -4.77 114.28 107.16 2bsb n THR 162 Ca 0.22 -0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 61.27 2bsb n THR 162 Cb 0.24 0.05 -0.15 0.00 -2.10 0.00 0.00 70.33 68.37 2bsb n THR 162 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bsb s THR 163 N -3.27 1.97 0.18 4.28 2.01 -1.26 -1.15 115.64 118.40 2bsb s THR 163 Ca -0.07 -1.23 0.08 0.00 0.31 0.00 0.00 61.69 60.78 2bsb s THR 163 Cb 0.12 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 2bsb s THR 163 CO 0.78 0.40 -0.17 0.68 -0.69 0.00 0.00 174.62 175.62 2bsb s VAL 164 N -0.72 1.79 0.36 3.82 -7.23 -0.19 -4.95 120.40 113.27 2bsb s VAL 164 Ca 0.10 -2.04 0.09 0.00 -1.81 0.00 0.00 61.98 58.32 2bsb s VAL 164 Cb -0.10 -1.92 -0.07 0.00 0.56 0.00 0.00 36.38 34.86 2bsb s VAL 164 CO 0.01 -0.43 -0.06 0.20 -0.31 0.00 0.00 175.10 174.51 2bsb s ASN 165 N -2.94 3.81 0.00 4.85 0.01 -0.06 -1.71 114.94 118.91 2bsb s ASN 165 Ca 0.18 -1.21 0.02 0.00 -0.71 0.00 0.00 52.86 51.14 2bsb s ASN 165 Cb -0.04 -0.38 -0.01 0.00 0.41 0.00 0.00 41.25 41.24 2bsb s ASN 165 CO 0.07 -0.26 -0.05 -0.36 -1.51 0.00 0.00 177.10 174.99 2bsb s PHE 166 N -2.62 0.45 -0.03 2.20 0.08 -0.34 -2.03 117.98 115.68 2bsb s PHE 166 Ca 0.33 -0.14 0.02 0.00 0.12 0.00 0.00 56.93 57.26 2bsb s PHE 166 Cb 0.04 -0.29 0.01 0.00 -0.57 0.00 0.00 43.02 42.21 2bsb s PHE 166 CO 0.17 -0.02 -0.08 -1.12 -0.10 0.00 0.00 175.22 174.07 2bsb s SER 167 N -0.33 1.15 -0.27 1.36 0.01 0.45 -0.45 113.70 115.63 2bsb s SER 167 Ca -0.00 -0.18 -0.27 0.00 1.31 0.00 0.00 55.95 56.82 2bsb s SER 167 Cb -0.03 -0.38 0.01 0.00 0.21 0.00 0.00 66.02 65.82 2bsb s SER 167 CO -0.00 0.03 0.94 -0.22 0.41 0.00 0.00 173.24 174.40 2bsb s LEU 168 N 0.40 4.06 0.39 2.44 2.96 -0.08 0.12 118.68 128.95 2bsb s LEU 168 Ca -0.06 1.08 -0.26 0.00 -0.22 0.00 0.00 54.13 54.67 2bsb s LEU 168 Cb -0.10 -3.35 -0.09 0.00 0.50 0.00 0.00 46.19 43.15 2bsb s LEU 168 CO 0.01 -0.66 1.18 0.20 -1.32 0.00 0.00 176.35 175.76 2bsb s ASN 169 N 1.41 6.58 0.57 3.68 0.01 -0.77 -2.46 114.94 123.96 2bsb s ASN 169 Ca 0.39 2.39 -0.19 0.00 -0.71 0.00 0.00 52.86 54.74 2bsb s ASN 169 Cb -0.14 -2.62 -0.07 0.00 0.41 0.00 0.00 41.25 38.83 2bsb s ASN 169 CO 0.09 -0.64 0.79 -2.65 -1.51 0.00 0.00 177.10 173.19 2bsb n PRO 170 N 0.21 0.78 -3.87 -0.60 -0.02 -1.26 -4.78 135.00 125.46 2bsb n PRO 170 Ca 0.04 0.30 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 2bsb n PRO 170 Cb 0.46 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2bsb n PRO 170 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2bsb s PHE 171 N -1.57 0.20 0.01 6.00 -0.12 -1.11 -2.95 117.98 118.44 2bsb s PHE 171 Ca 0.72 -0.76 -0.01 0.00 -0.05 0.00 0.00 56.93 56.83 2bsb s PHE 171 Cb -0.44 0.65 -0.01 0.00 -0.63 0.00 0.00 43.02 42.58 2bsb s PHE 171 CO 0.51 -1.41 0.01 0.99 -0.05 0.00 0.00 175.22 175.26 2bsb s THR 172 N -2.83 0.07 -0.35 -4.49 2.01 -1.11 -1.36 115.64 107.58 2bsb s THR 172 Ca 0.17 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 2bsb s THR 172 Cb -0.04 -0.22 0.07 0.00 0.01 0.00 0.00 72.50 72.32 2bsb s THR 172 CO 0.12 -0.33 0.10 -0.76 -0.69 0.00 0.00 174.62 173.05 2bsb s LEU 173 N -1.01 4.51 -0.96 4.42 1.43 -0.24 -0.69 118.68 126.15 2bsb s LEU 173 Ca -0.11 -1.53 -0.24 0.00 -1.03 0.00 0.00 54.13 51.22 2bsb s LEU 173 Cb -0.07 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2bsb s LEU 173 CO -0.00 -0.39 1.83 0.20 0.23 0.00 0.00 176.35 178.23 2bsb s ASN 174 N 1.52 5.46 0.00 2.29 0.02 0.53 -0.76 114.94 124.00 2bsb s ASN 174 Ca 0.01 -0.95 0.00 0.00 -1.02 0.00 0.00 52.86 50.89 2bsb s ASN 174 Cb -0.21 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.50 2bsb s ASN 174 CO -0.01 -2.47 0.00 -0.90 0.02 0.00 0.00 177.10 173.74 2bsb n ASP 175 N 12.79 0.00 -0.15 -1.22 5.75 -1.26 -4.39 116.55 128.07 2bsb n ASP 175 Ca 0.39 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 55.19 2bsb n ASP 175 Cb 0.48 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.58 2bsb n ASP 175 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44