#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bim s SER 7 N 0.00 -0.15 -0.30 1.67 0.15 -1.26 -5.17 113.70 108.64 3bim s SER 7 Ca 0.00 -0.31 -0.13 0.00 0.70 0.00 0.00 55.95 56.21 3bim s SER 7 Cb 0.00 0.39 0.14 0.00 -1.71 0.00 0.00 66.02 64.84 3bim s SER 7 CO 0.00 -0.72 0.81 -1.58 1.20 0.00 0.00 173.24 172.95 3bim s GLN 8 N -3.04 0.45 -0.04 5.44 -0.44 -1.26 -5.17 119.66 115.61 3bim s GLN 8 Ca 0.12 1.10 0.02 0.00 -2.50 0.00 0.00 55.36 54.10 3bim s GLN 8 Cb 0.00 0.61 -0.03 0.00 -1.64 0.00 0.00 33.01 31.96 3bim s GLN 8 CO 0.00 -0.15 -0.06 0.42 0.50 0.00 0.00 175.29 176.00 3bim s ILE 9 N 2.56 3.75 -0.24 -2.34 1.01 -1.26 -5.08 121.20 119.59 3bim s ILE 9 Ca -0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 3bim s ILE 9 Cb -0.09 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.83 3bim s ILE 9 CO -0.18 0.50 -0.07 -1.58 0.00 0.00 0.00 174.94 173.61 3bim s GLN 10 N -1.11 2.82 -0.52 2.79 0.74 -1.26 -5.05 119.66 118.08 3bim s GLN 10 Ca 0.15 -0.98 -0.22 0.00 0.05 0.00 0.00 55.36 54.35 3bim s GLN 10 Cb -0.11 -2.96 0.04 0.00 1.10 0.00 0.00 33.01 31.09 3bim s GLN 10 CO 0.04 -0.39 0.82 -0.06 -0.55 0.00 0.00 175.29 175.15 3bim s PHE 11 N 1.31 2.90 0.44 1.67 0.40 -1.26 -4.84 117.98 118.61 3bim s PHE 11 Ca 0.00 -0.13 0.17 0.00 -0.60 0.00 0.00 56.93 56.37 3bim s PHE 11 Cb -0.17 -3.84 1.10 0.00 0.51 0.00 0.00 43.02 40.63 3bim s PHE 11 CO -0.05 -1.19 2.01 1.79 0.70 0.00 0.00 175.22 178.48 3bim h THR 12 N 5.97 1.01 -0.39 0.64 1.35 -2.06 -2.07 112.91 117.35 3bim h THR 12 Ca -0.26 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 3bim h THR 12 Cb 1.08 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 3bim h THR 12 CO 1.03 0.17 0.00 -2.11 -0.25 0.00 0.00 175.52 174.36 3bim n ARG 13 N -4.17 2.25 0.00 4.72 1.85 -1.26 -4.71 116.66 115.35 3bim n ARG 13 Ca -0.02 -1.91 0.00 0.00 -1.00 0.00 0.00 57.85 54.91 3bim n ARG 13 Cb 0.25 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.19 3bim n ARG 13 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 3bim n HIS 14 N 1.10 0.00 -0.29 2.89 -0.00 -0.78 -1.77 115.22 116.36 3bim n HIS 14 Ca 0.18 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.45 3bim n HIS 14 Cb 0.50 -0.46 0.18 0.00 -0.12 0.00 0.00 29.99 30.09 3bim n HIS 14 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3bim n ALA 15 N -1.89 0.31 -0.15 1.57 0.00 -1.26 0.35 120.51 119.44 3bim n ALA 15 Ca 0.00 0.91 -0.04 0.00 0.00 0.00 0.00 53.44 54.30 3bim n ALA 15 Cb 0.00 -0.60 0.15 0.00 0.00 0.00 0.00 19.45 19.01 3bim n ALA 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3bim h SER 16 N 0.00 0.83 -0.20 0.00 0.87 -1.87 -0.20 113.55 112.98 3bim h SER 16 Ca 0.45 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 3bim h SER 16 Cb 0.81 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 3bim h SER 16 CO -0.82 0.84 0.05 0.44 -0.53 0.00 0.00 176.83 176.81 3bim h ASP 17 N 0.84 0.29 -0.23 6.23 3.32 0.73 0.58 116.42 128.19 3bim h ASP 17 Ca 0.18 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.06 3bim h ASP 17 Cb 0.36 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3bim h ASP 17 CO 0.01 0.43 -0.10 0.58 -1.72 0.00 0.00 179.24 178.44 3bim h VAL 18 N 0.14 0.67 -0.66 -1.35 2.07 -1.04 -1.11 116.25 114.96 3bim h VAL 18 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3bim h VAL 18 Cb 0.25 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3bim h VAL 18 CO -0.00 0.00 0.42 0.25 0.02 0.00 0.00 177.57 178.26 3bim h LEU 19 N -0.07 0.77 -1.65 2.57 5.85 -0.90 0.16 115.31 122.04 3bim h LEU 19 Ca 0.12 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3bim h LEU 19 Cb 0.25 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3bim h LEU 19 CO -0.28 0.58 0.02 0.25 -0.34 0.00 0.00 178.44 178.67 3bim h LEU 20 N 0.89 0.21 -0.34 2.25 5.85 -0.38 -1.93 115.31 121.87 3bim h LEU 20 Ca 0.24 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.76 3bim h LEU 20 Cb -0.07 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3bim h LEU 20 CO -0.05 0.24 -0.84 0.78 -0.34 0.00 0.00 178.44 178.24 3bim h ASN 21 N 0.24 0.11 -0.56 1.25 2.35 0.14 -2.76 115.58 116.35 3bim h ASN 21 Ca 0.06 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3bim h ASN 21 Cb 0.14 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3bim h ASN 21 CO 0.00 0.90 0.27 -0.07 -1.65 0.00 0.00 177.43 176.87 3bim h LEU 22 N 0.05 0.74 -0.34 1.61 3.38 -0.20 -0.23 115.31 120.32 3bim h LEU 22 Ca -0.02 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3bim h LEU 22 Cb 1.46 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 3bim h LEU 22 CO 0.12 0.67 0.19 -1.13 0.09 0.00 0.00 178.44 178.37 3bim h ASN 23 N 0.76 0.30 0.46 -0.43 -0.00 -1.32 0.12 115.58 115.48 3bim h ASN 23 Ca 0.19 0.01 -0.06 0.00 -0.00 0.00 0.00 56.30 56.44 3bim h ASN 23 Cb 0.13 -0.05 -0.01 0.00 -0.00 0.00 0.00 38.32 38.38 3bim h ASN 23 CO -0.02 0.22 -0.29 0.08 -0.00 0.00 0.00 177.43 177.41 3bim h ARG 24 N 0.39 0.00 0.20 6.67 -0.00 -1.31 0.37 114.38 120.70 3bim h ARG 24 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.12 3bim h ARG 24 Cb 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.97 3bim h ARG 24 CO -0.07 0.29 -0.20 -0.07 -0.00 0.00 0.00 179.97 179.92 3bim h LEU 25 N 0.00 -0.54 -1.01 0.08 3.38 -0.44 -2.73 115.31 114.06 3bim h LEU 25 Ca -0.00 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.13 3bim h LEU 25 Cb 0.60 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 3bim h LEU 25 CO 0.04 -0.30 0.64 -0.09 0.09 0.00 0.00 178.44 178.82 3bim h ARG 26 N -0.44 1.02 -0.57 1.13 2.43 -0.38 -0.22 114.38 117.35 3bim h ARG 26 Ca 0.00 -0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.22 3bim h ARG 26 Cb 0.41 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3bim h ARG 26 CO -0.05 0.67 0.39 0.77 -1.51 0.00 0.00 179.97 180.24 3bim h SER 27 N 1.05 0.28 -0.32 -3.80 0.02 0.02 -2.04 113.55 108.76 3bim h SER 27 Ca 0.48 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 3bim h SER 27 Cb 0.41 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3bim h SER 27 CO -0.24 0.17 0.00 0.54 -1.14 0.00 0.00 176.83 176.15 3bim n ARG 28 N -4.46 2.89 -3.69 3.45 1.74 -0.88 -4.98 116.66 110.73 3bim n ARG 28 Ca 0.10 -2.20 -0.28 0.00 -0.77 0.00 0.00 57.85 54.70 3bim n ARG 28 Cb 0.42 -1.38 0.02 0.00 -1.02 0.00 0.00 32.46 30.50 3bim n ARG 28 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3bim n ASP 29 N 0.26 -4.83 -4.59 0.55 4.64 -0.77 -4.96 116.55 106.86 3bim n ASP 29 Ca 0.13 -0.63 -0.40 0.00 -1.38 0.00 0.00 54.79 52.50 3bim n ASP 29 Cb 0.52 -3.88 -0.08 0.00 -1.04 0.00 0.00 41.12 36.64 3bim n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3bim s ILE 30 N -3.21 5.06 -0.55 5.18 1.01 -0.16 -4.41 121.20 124.12 3bim s ILE 30 Ca 0.57 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.79 3bim s ILE 30 Cb -0.29 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.31 3bim s ILE 30 CO 0.70 -0.05 0.00 0.18 0.00 0.00 0.00 174.94 175.78 3bim n LEU 31 N 5.60 -0.10 -4.72 2.97 4.77 -1.26 -4.50 117.00 119.76 3bim n LEU 31 Ca -0.05 0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 3bim n LEU 31 Cb 0.49 -1.63 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 3bim n LEU 31 CO 0.42 -0.54 1.17 0.42 -1.33 0.00 0.00 177.39 177.53 3bim s THR 32 N -1.92 2.81 -0.02 -5.08 -4.23 -1.26 -4.86 115.64 101.08 3bim s THR 32 Ca 0.00 0.59 0.03 0.00 -1.18 0.00 0.00 61.69 61.13 3bim s THR 32 Cb 0.00 -3.38 0.05 0.00 1.34 0.00 0.00 72.50 70.51 3bim s THR 32 CO 0.00 0.05 0.98 -0.90 -0.54 0.00 0.00 174.62 174.21 3bim n ASP 33 N 3.80 1.81 -3.66 3.99 3.85 -0.83 -4.94 116.55 120.57 3bim n ASP 33 Ca 0.12 -2.09 -0.12 0.00 -0.71 0.00 0.00 54.79 52.00 3bim n ASP 33 Cb 0.40 -0.08 -0.08 0.00 -1.35 0.00 0.00 41.12 40.01 3bim n ASP 33 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3bim s VAL 34 N -1.21 -0.00 -0.23 2.12 0.11 -1.15 -4.62 120.40 115.42 3bim s VAL 34 Ca 0.06 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.03 3bim s VAL 34 Cb 0.05 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 3bim s VAL 34 CO 0.01 0.00 0.12 -0.69 -3.33 0.00 0.00 175.10 171.21 3bim s VAL 35 N 0.78 4.96 -0.28 2.04 1.01 0.40 -1.16 120.40 128.15 3bim s VAL 35 Ca -0.04 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 3bim s VAL 35 Cb -0.05 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3bim s VAL 35 CO -0.06 0.36 0.61 -0.63 0.00 0.00 0.00 175.10 175.38 3bim s ILE 36 N 1.12 4.98 -0.34 2.22 -1.09 0.13 -1.14 121.20 127.08 3bim s ILE 36 Ca 0.06 0.94 -0.11 0.00 -2.23 0.00 0.00 60.65 59.31 3bim s ILE 36 Cb -0.14 -3.95 0.01 0.00 -1.58 0.00 0.00 42.46 36.80 3bim s ILE 36 CO 0.04 -0.05 0.19 -0.69 -1.23 0.00 0.00 174.94 173.21 3bim s VAL 37 N 2.51 4.69 -0.40 2.92 1.01 0.15 -0.26 120.40 131.04 3bim s VAL 37 Ca 0.25 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3bim s VAL 37 Cb -0.15 -3.49 0.11 0.00 0.00 0.00 0.00 36.38 32.84 3bim s VAL 37 CO 0.10 -0.08 0.14 -0.69 0.00 0.00 0.00 175.10 174.57 3bim s VAL 38 N 1.60 2.64 0.00 2.92 1.01 -0.22 -0.35 120.40 128.00 3bim s VAL 38 Ca 0.04 -2.45 0.00 0.00 0.00 0.00 0.00 61.98 59.57 3bim s VAL 38 Cb -0.18 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.32 3bim s VAL 38 CO 0.07 -0.66 0.00 -1.20 0.00 0.00 0.00 175.10 173.31 3bim n SER 39 N 4.13 0.00 -0.09 3.32 7.64 -1.26 -2.47 113.62 124.89 3bim n SER 39 Ca 0.03 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.82 3bim n SER 39 Cb 0.40 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.46 3bim n SER 39 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3bim n ARG 40 N 0.00 1.11 -1.78 1.43 1.74 -1.26 -5.03 116.66 112.87 3bim n ARG 40 Ca 0.00 -0.01 -0.37 0.00 -0.77 0.00 0.00 57.85 56.70 3bim n ARG 40 Cb 0.00 -1.45 0.06 0.00 -1.02 0.00 0.00 32.46 30.05 3bim n ARG 40 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3bim s GLU 41 N -2.44 2.62 0.07 5.56 2.02 -1.03 -5.05 118.70 120.45 3bim s GLU 41 Ca -0.09 2.04 0.07 0.00 0.02 0.00 0.00 54.97 57.02 3bim s GLU 41 Cb 0.05 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.38 3bim s GLU 41 CO 0.72 -1.54 -0.16 -0.65 0.02 0.00 0.00 175.26 173.66 3bim s GLN 42 N -3.36 2.02 -0.04 1.61 -0.21 -1.26 -1.06 119.66 117.36 3bim s GLN 42 Ca 0.82 -1.03 -0.01 0.00 0.02 0.00 0.00 55.36 55.15 3bim s GLN 42 Cb -0.37 -2.21 0.03 0.00 1.00 0.00 0.00 33.01 31.46 3bim s GLN 42 CO 0.39 0.52 0.04 -0.06 -2.12 0.00 0.00 175.29 174.06 3bim s PHE 43 N -1.06 0.18 0.00 0.91 0.40 0.65 -4.96 117.98 114.10 3bim s PHE 43 Ca 0.17 0.15 -0.17 0.00 -0.60 0.00 0.00 56.93 56.49 3bim s PHE 43 Cb -0.11 -0.50 -0.06 0.00 0.51 0.00 0.00 43.02 42.86 3bim s PHE 43 CO 0.09 -0.20 0.47 1.03 0.70 0.00 0.00 175.22 177.31 3bim s ARG 44 N 1.92 4.07 0.15 0.44 1.81 -1.26 0.22 118.95 126.31 3bim s ARG 44 Ca 0.02 0.52 -0.04 0.00 -1.72 0.00 0.00 55.73 54.51 3bim s ARG 44 Cb -0.12 -3.26 0.02 0.00 -0.45 0.00 0.00 34.95 31.14 3bim s ARG 44 CO -0.03 0.59 0.28 0.00 -0.68 0.00 0.00 175.30 175.46 3bim n ALA 45 N 2.08 -0.55 -3.09 2.13 0.00 -0.31 -4.97 120.51 115.81 3bim n ALA 45 Ca -0.12 -0.54 -0.34 0.00 0.00 0.00 0.00 53.44 52.43 3bim n ALA 45 Cb 0.52 0.44 -0.13 0.00 0.00 0.00 0.00 19.45 20.28 3bim n ALA 45 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3bim s HIS 46 N -5.71 3.02 0.31 0.00 0.09 -1.26 -1.96 115.29 109.78 3bim s HIS 46 Ca 0.08 -0.46 0.08 0.00 -0.00 0.00 0.00 55.06 54.76 3bim s HIS 46 Cb -0.02 -2.04 0.83 0.00 -0.00 0.00 0.00 32.58 31.36 3bim s HIS 46 CO 0.06 -0.21 1.74 0.87 -0.00 0.00 0.00 174.74 177.20 3bim h LYS 47 N 7.28 0.62 -0.11 1.40 1.57 -1.92 -1.89 116.57 123.52 3bim h LYS 47 Ca -0.35 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.28 3bim h LYS 47 Cb 1.18 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3bim h LYS 47 CO 0.61 0.41 -0.43 1.79 -0.57 0.00 0.00 179.45 181.26 3bim h THR 48 N 0.64 1.32 -0.02 -0.16 1.35 -1.98 0.24 112.91 114.29 3bim h THR 48 Ca 0.62 -1.58 -0.02 0.00 -0.55 0.00 0.00 66.41 64.88 3bim h THR 48 Cb 1.11 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3bim h THR 48 CO -0.45 0.47 -0.05 0.58 -0.25 0.00 0.00 175.52 175.83 3bim h VAL 49 N 0.22 1.44 -0.56 6.82 2.07 -1.79 -2.31 116.25 122.14 3bim h VAL 49 Ca 0.02 -1.37 0.11 0.00 0.82 0.00 0.00 66.70 66.28 3bim h VAL 49 Cb 0.86 2.30 -0.11 0.00 -1.52 0.00 0.00 31.29 32.82 3bim h VAL 49 CO 0.07 0.36 -0.24 -0.07 0.02 0.00 0.00 177.57 177.72 3bim h LEU 50 N -0.46 -0.83 -1.74 2.57 3.38 -0.96 -1.61 115.31 115.66 3bim h LEU 50 Ca 0.00 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3bim h LEU 50 Cb 0.62 0.46 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3bim h LEU 50 CO 0.01 -0.26 -0.11 0.24 0.09 0.00 0.00 178.44 178.41 3bim h MET 51 N -0.10 0.00 0.00 1.13 2.86 -0.53 0.12 114.93 118.41 3bim h MET 51 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3bim h MET 51 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3bim h MET 51 CO -0.62 0.11 -0.34 0.00 1.06 0.00 0.00 176.91 177.12 3bim n ALA 52 N -2.21 2.68 -0.09 6.32 0.00 -0.67 -4.25 120.51 122.29 3bim n ALA 52 Ca -0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 3bim n ALA 52 Cb 0.28 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 3bim n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bim s SER 54 N -5.54 2.41 0.36 0.00 0.15 0.28 -4.83 113.70 106.53 3bim s SER 54 Ca -0.20 -0.42 0.06 0.00 0.70 0.00 0.00 55.95 56.09 3bim s SER 54 Cb 0.06 -1.09 0.75 0.00 -1.71 0.00 0.00 66.02 64.03 3bim s SER 54 CO 0.50 0.04 1.95 1.23 1.20 0.00 0.00 173.24 178.15 3bim h GLY 55 N 7.26 0.98 0.60 9.45 0.00 -1.63 -0.26 103.07 119.48 3bim h GLY 55 Ca -0.30 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 3bim h GLY 55 CO 0.49 0.21 -0.40 -2.00 0.00 0.00 0.00 176.54 174.84 3bim h LEU 56 N 0.75 -1.01 -1.52 3.11 5.85 -1.73 -2.27 115.31 118.50 3bim h LEU 56 Ca 0.33 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.12 3bim h LEU 56 Cb 0.30 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3bim h LEU 56 CO -0.11 -0.59 0.34 -0.26 -0.34 0.00 0.00 178.44 177.47 3bim h PHE 57 N -0.94 0.61 0.06 1.25 0.05 -1.79 -1.25 116.94 114.92 3bim h PHE 57 Ca -0.08 0.01 0.02 0.00 3.82 0.00 0.00 57.97 61.75 3bim h PHE 57 Cb 0.76 -0.21 -0.05 0.00 2.00 0.00 0.00 35.95 38.46 3bim h PHE 57 CO -0.08 0.38 -0.42 -0.92 -0.18 0.00 0.00 178.31 177.08 3bim h TYR 58 N 0.65 -1.18 -0.82 -0.55 3.20 -0.92 -1.95 116.97 115.40 3bim h TYR 58 Ca 0.19 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.12 3bim h TYR 58 Cb -0.03 0.51 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 3bim h TYR 58 CO -0.00 -0.51 0.53 0.77 -1.64 0.00 0.00 178.16 177.32 3bim h SER 59 N -0.62 0.90 -0.65 -2.11 0.02 -0.69 -0.51 113.55 109.89 3bim h SER 59 Ca 0.03 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3bim h SER 59 Cb 0.67 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 3bim h SER 59 CO -0.28 0.63 0.38 0.40 -1.14 0.00 0.00 176.83 176.82 3bim h ILE 60 N 1.06 1.03 0.00 3.27 2.04 -0.99 -2.56 117.51 121.35 3bim h ILE 60 Ca 0.32 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3bim h ILE 60 Cb -0.03 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3bim h ILE 60 CO -0.10 0.13 -0.63 -0.26 0.00 0.00 0.00 178.15 177.29 3bim h PHE 61 N 0.73 0.00 0.00 1.37 0.05 -0.79 -2.97 116.94 115.34 3bim h PHE 61 Ca 0.28 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.07 3bim h PHE 61 Cb 0.10 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.05 3bim h PHE 61 CO -0.06 0.00 0.00 2.41 -0.18 0.00 0.00 178.31 180.48 3bim n THR 62 N -2.46 0.12 -3.40 -1.55 -1.04 -0.25 -4.32 114.28 101.38 3bim n THR 62 Ca 0.02 0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.64 3bim n THR 62 Cb 0.49 -0.58 -0.09 0.00 -1.82 0.00 0.00 70.33 68.33 3bim n THR 62 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3bim s ASP 63 N -2.59 6.16 0.00 8.00 -1.08 -0.98 -4.94 116.67 121.24 3bim s ASP 63 Ca 0.25 -0.52 0.09 0.00 -0.52 0.00 0.00 52.55 51.84 3bim s ASP 63 Cb 0.18 -2.19 0.51 0.00 -1.46 0.00 0.00 42.92 39.96 3bim s ASP 63 CO 0.42 -0.43 1.09 0.00 0.52 0.00 0.00 175.17 176.77 3bim n GLN 64 N 5.38 0.70 0.00 4.34 0.00 -1.26 0.14 117.38 126.68 3bim n GLN 64 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 57.00 57.03 3bim n GLN 64 Cb 0.48 -1.19 0.25 0.00 0.00 0.00 0.00 30.24 29.79 3bim n GLN 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3bim n LEU 65 N -0.69 0.50 0.00 2.61 -0.00 -1.26 -4.60 117.00 113.56 3bim n LEU 65 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 3bim n LEU 65 Cb 0.03 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.20 3bim n LEU 65 CO 0.05 0.12 0.00 0.29 -0.00 0.00 0.00 177.39 177.85 3bim n LYS 66 N -1.49 5.02 -0.34 1.96 5.02 0.11 -4.86 118.16 123.57 3bim n LYS 66 Ca 0.06 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.56 3bim n LYS 66 Cb 0.34 -0.44 0.44 0.00 -0.02 0.00 0.00 35.03 35.34 3bim n LYS 66 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3bim h ARG 67 N 0.00 0.44 -0.01 1.97 2.43 0.11 -0.58 114.38 118.74 3bim h ARG 67 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3bim h ARG 67 Cb 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3bim h ARG 67 CO 0.00 0.29 -0.00 0.09 -1.51 0.00 0.00 179.97 178.84 3bim n ASN 68 N -4.90 0.74 -4.73 -3.80 3.02 -1.26 -4.89 115.26 99.44 3bim n ASN 68 Ca 0.29 -1.24 -0.41 0.00 -0.03 0.00 0.00 54.58 53.19 3bim n ASN 68 Cb 0.87 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.01 3bim n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bim s LEU 69 N -2.01 4.44 0.00 3.41 2.01 -0.23 -4.90 118.68 121.40 3bim s LEU 69 Ca 0.43 2.21 0.23 0.00 0.01 0.00 0.00 54.13 57.00 3bim s LEU 69 Cb 0.21 -3.60 0.03 0.00 0.01 0.00 0.00 46.19 42.84 3bim s LEU 69 CO 0.35 -0.39 1.09 -1.54 1.01 0.00 0.00 176.35 176.87 3bim n SER 70 N 2.73 1.31 -4.23 2.29 3.41 -1.26 -4.89 113.62 112.97 3bim n SER 70 Ca 0.05 -1.08 -0.33 0.00 -0.26 0.00 0.00 58.87 57.25 3bim n SER 70 Cb 0.45 0.64 -0.16 0.00 -0.26 0.00 0.00 64.21 64.88 3bim n SER 70 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3bim s VAL 71 N -2.77 2.31 -0.14 -3.33 1.01 -1.26 -0.45 120.40 115.77 3bim s VAL 71 Ca 0.14 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 3bim s VAL 71 Cb 0.17 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.65 3bim s VAL 71 CO 0.71 0.54 -0.09 -0.63 0.00 0.00 0.00 175.10 175.64 3bim s ILE 72 N 0.58 1.19 -0.23 2.22 -1.09 -0.29 -4.99 121.20 118.59 3bim s ILE 72 Ca -0.12 -0.47 -0.20 0.00 -2.23 0.00 0.00 60.65 57.63 3bim s ILE 72 Cb -0.16 -1.22 -0.02 0.00 -1.58 0.00 0.00 42.46 39.47 3bim s ILE 72 CO 0.03 0.33 0.62 0.20 -1.23 0.00 0.00 174.94 174.89 3bim s ASN 73 N 1.63 6.61 0.30 3.58 0.01 -1.26 0.33 114.94 126.14 3bim s ASN 73 Ca 0.04 0.74 -0.27 0.00 -0.71 0.00 0.00 52.86 52.66 3bim s ASN 73 Cb -0.13 -2.34 -0.10 0.00 0.41 0.00 0.00 41.25 39.09 3bim s ASN 73 CO -0.09 -0.33 0.96 -0.76 -1.51 0.00 0.00 177.10 175.38 3bim s LEU 74 N 2.26 4.44 -0.16 0.60 1.43 0.52 -4.94 118.68 122.83 3bim s LEU 74 Ca 0.27 1.92 -0.28 0.00 -1.03 0.00 0.00 54.13 55.01 3bim s LEU 74 Cb -0.16 -3.87 -0.13 0.00 0.03 0.00 0.00 46.19 42.07 3bim s LEU 74 CO 0.09 -0.03 0.86 -0.67 0.23 0.00 0.00 176.35 176.83 3bim n ASP 75 N 0.86 0.39 -0.02 2.29 -0.08 -1.26 -4.57 116.55 114.15 3bim n ASP 75 Ca 0.01 0.75 0.24 0.00 -1.51 0.00 0.00 54.79 54.28 3bim n ASP 75 Cb 0.49 -0.58 0.72 0.00 2.34 0.00 0.00 41.12 44.09 3bim n ASP 75 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3bim h PRO 76 N 2.57 0.00 0.00 -0.67 0.11 -1.96 0.17 132.00 132.22 3bim h PRO 76 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3bim h PRO 76 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3bim h PRO 76 CO 0.52 0.00 0.00 1.49 -0.21 0.00 0.00 178.00 179.80 3bim h GLU 77 N 0.00 0.00 -6.85 1.05 4.57 -2.04 -3.46 114.58 107.86 3bim h GLU 77 Ca 0.29 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.99 3bim h GLU 77 Cb 1.39 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.98 3bim h GLU 77 CO -0.00 0.00 0.40 0.42 -1.18 0.00 0.00 179.01 178.65 3bim s ILE 78 N -3.37 3.86 -0.41 2.32 -1.09 0.04 -5.02 121.20 117.53 3bim s ILE 78 Ca 0.04 1.68 -0.15 0.00 -2.23 0.00 0.00 60.65 59.98 3bim s ILE 78 Cb 0.09 -3.99 0.02 0.00 -1.58 0.00 0.00 42.46 37.00 3bim s ILE 78 CO 0.40 0.25 0.31 0.21 -1.23 0.00 0.00 174.94 174.89 3bim s ASN 79 N -1.30 6.12 0.27 3.58 3.04 -1.26 -4.65 114.94 120.74 3bim s ASN 79 Ca 0.48 -0.89 -0.03 0.00 0.04 0.00 0.00 52.86 52.46 3bim s ASN 79 Cb -0.25 -2.17 0.55 0.00 -1.54 0.00 0.00 41.25 37.85 3bim s ASN 79 CO 0.31 -0.47 1.43 -2.65 -3.04 0.00 0.00 177.10 172.69 3bim n PRO 80 N 5.20 -0.08 -0.04 0.43 -0.02 -1.26 0.30 135.00 139.53 3bim n PRO 80 Ca -0.11 1.40 0.06 0.00 -2.02 0.00 0.00 63.50 62.83 3bim n PRO 80 Cb 0.47 -2.16 0.43 0.00 -0.02 0.00 0.00 33.50 32.22 3bim n PRO 80 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3bim h GLU 81 N 0.00 0.55 0.00 -0.52 4.81 -1.96 -1.28 114.58 116.18 3bim h GLU 81 Ca 0.49 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.56 3bim h GLU 81 Cb 0.89 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 3bim h GLU 81 CO -0.90 0.36 -1.18 0.78 -0.73 0.00 0.00 179.01 177.34 3bim h GLY 82 N 0.56 0.00 0.78 1.92 0.00 -0.46 -2.46 103.07 103.41 3bim h GLY 82 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.45 3bim h GLY 82 CO -0.05 0.00 -0.20 -2.75 0.00 0.00 0.00 176.54 173.54 3bim h PHE 83 N 0.00 0.51 -0.73 5.60 3.57 -0.86 -2.66 116.94 122.36 3bim h PHE 83 Ca -0.11 -0.16 0.12 0.00 3.53 0.00 0.00 57.97 61.35 3bim h PHE 83 Cb 1.47 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 40.02 3bim h PHE 83 CO 0.00 0.82 0.32 -0.97 -2.23 0.00 0.00 178.31 176.25 3bim h ASN 84 N 0.05 0.35 0.23 0.41 -0.73 -1.26 0.30 115.58 114.94 3bim h ASN 84 Ca 0.02 0.09 -0.05 0.00 1.87 0.00 0.00 56.30 58.23 3bim h ASN 84 Cb 0.75 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.38 3bim h ASN 84 CO 0.05 0.17 -0.24 0.40 -0.37 0.00 0.00 177.43 177.44 3bim h ILE 85 N 0.51 1.18 0.20 2.57 2.04 -1.39 -0.92 117.51 121.69 3bim h ILE 85 Ca 0.39 -0.83 -0.32 0.00 1.00 0.00 0.00 64.86 65.10 3bim h ILE 85 Cb 0.52 1.44 0.03 0.00 -0.74 0.00 0.00 36.82 38.07 3bim h ILE 85 CO -0.35 0.24 -1.38 -0.07 0.00 0.00 0.00 178.15 176.60 3bim h LEU 86 N 0.01 0.77 0.08 1.44 3.38 -0.28 -1.36 115.31 119.34 3bim h LEU 86 Ca -0.00 -0.79 0.02 0.00 0.09 0.00 0.00 57.88 57.20 3bim h LEU 86 Cb 0.43 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3bim h LEU 86 CO 0.03 1.61 -0.32 0.25 0.09 0.00 0.00 178.44 180.10 3bim h LEU 87 N 0.16 -0.94 -1.17 1.67 5.85 -0.40 0.14 115.31 120.63 3bim h LEU 87 Ca -0.22 0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.77 3bim h LEU 87 Cb 2.07 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 43.38 3bim h LEU 87 CO 0.25 -0.40 0.60 0.44 -0.34 0.00 0.00 178.44 178.99 3bim h ASP 88 N -0.52 0.74 -0.44 1.25 3.45 -1.21 -1.18 116.42 118.51 3bim h ASP 88 Ca 0.04 0.05 -0.12 0.00 0.43 0.00 0.00 57.03 57.43 3bim h ASP 88 Cb 0.57 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 3bim h ASP 88 CO -0.21 0.35 -0.20 0.15 -1.57 0.00 0.00 179.24 177.77 3bim h PHE 89 N 0.78 1.08 -0.32 4.55 3.57 -0.35 -1.54 116.94 124.71 3bim h PHE 89 Ca 0.49 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3bim h PHE 89 Cb 0.73 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3bim h PHE 89 CO -0.00 1.05 0.21 0.52 -2.23 0.00 0.00 178.31 177.86 3bim h MET 90 N 0.82 0.42 -0.00 1.11 2.86 0.41 0.14 114.93 120.69 3bim h MET 90 Ca 0.11 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3bim h MET 90 Cb 0.76 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.32 3bim h MET 90 CO 0.06 0.28 -0.06 0.66 1.06 0.00 0.00 176.91 178.91 3bim n TYR 91 N -4.87 0.00 0.00 -0.22 4.02 -0.74 -4.37 117.16 110.98 3bim n TYR 91 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3bim n TYR 91 Cb 0.03 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 3bim n TYR 91 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3bim n THR 92 N -1.15 0.00 -0.97 -0.72 -2.24 -0.59 -4.45 114.28 104.16 3bim n THR 92 Ca 0.14 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3bim n THR 92 Cb 0.26 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 3bim n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3bim n SER 93 N -0.15 -0.49 -4.15 3.42 7.64 0.47 -5.02 113.62 115.34 3bim n SER 93 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 3bim n SER 93 Cb 0.00 -0.26 -0.14 0.00 -1.01 0.00 0.00 64.21 62.80 3bim n SER 93 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3bim s ARG 94 N -0.08 2.50 -0.36 1.43 0.52 -1.25 -5.04 118.95 116.67 3bim s ARG 94 Ca 0.00 -1.20 -0.28 0.00 -0.52 0.00 0.00 55.73 53.73 3bim s ARG 94 Cb 0.00 -3.03 0.02 0.00 0.52 0.00 0.00 34.95 32.45 3bim s ARG 94 CO 0.00 -0.54 1.01 -1.17 0.02 0.00 0.00 175.30 174.62 3bim s LEU 95 N 1.23 3.93 -1.03 2.53 2.96 -1.26 -4.05 118.68 122.98 3bim s LEU 95 Ca -0.05 0.78 -0.14 0.00 -0.22 0.00 0.00 54.13 54.51 3bim s LEU 95 Cb -0.19 -3.42 0.20 0.00 0.50 0.00 0.00 46.19 43.29 3bim s LEU 95 CO -0.03 -0.91 1.12 0.20 -1.32 0.00 0.00 176.35 175.41 3bim s ASN 96 N 1.84 6.97 -0.57 3.68 0.02 -1.26 -5.00 114.94 120.62 3bim s ASN 96 Ca 0.42 -2.88 -0.26 0.00 -1.02 0.00 0.00 52.86 49.12 3bim s ASN 96 Cb -0.12 -2.30 0.04 0.00 0.02 0.00 0.00 41.25 38.89 3bim s ASN 96 CO 0.19 -0.65 1.04 -0.76 0.02 0.00 0.00 177.10 176.93 3bim s LEU 97 N 0.70 3.86 0.49 0.60 1.43 -1.26 -4.99 118.68 119.51 3bim s LEU 97 Ca 0.31 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 3bim s LEU 97 Cb -0.07 -2.93 0.02 0.00 0.03 0.00 0.00 46.19 43.24 3bim s LEU 97 CO -0.06 -1.33 0.68 -0.13 0.23 0.00 0.00 176.35 175.74 3bim s ARG 98 N 4.34 2.68 0.08 1.70 0.52 -1.26 -4.98 118.95 122.03 3bim s ARG 98 Ca 0.35 -0.96 -0.20 0.00 -0.52 0.00 0.00 55.73 54.39 3bim s ARG 98 Cb -0.11 -2.61 -0.10 0.00 0.52 0.00 0.00 34.95 32.66 3bim s ARG 98 CO 0.21 -0.51 1.55 0.93 0.02 0.00 0.00 175.30 177.51 3bim h GLU 99 N 0.33 0.31 0.00 3.54 5.08 -2.02 -1.91 114.58 119.91 3bim h GLU 99 Ca -0.41 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3bim h GLU 99 Cb 1.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3bim h GLU 99 CO 0.49 0.47 0.00 0.41 -1.00 0.00 0.00 179.01 179.38 3bim n GLY 100 N -0.46 -0.76 0.00 -3.84 0.00 -1.26 -3.80 105.19 95.07 3bim n GLY 100 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3bim n GLY 100 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bim n ASN 101 N -0.66 0.00 0.31 1.61 0.23 -1.17 -4.87 115.26 110.71 3bim n ASN 101 Ca 0.06 -0.30 0.19 0.00 -0.53 0.00 0.00 54.58 54.00 3bim n ASN 101 Cb 0.03 0.00 1.03 0.00 -2.08 0.00 0.00 39.78 38.76 3bim n ASN 101 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3bim h ILE 102 N 0.30 0.24 -0.00 1.53 2.10 -1.44 0.12 117.51 120.35 3bim h ILE 102 Ca 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.88 3bim h ILE 102 Cb 0.15 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 3bim h ILE 102 CO 0.00 0.00 -0.23 0.24 -1.08 0.00 0.00 178.15 177.08 3bim h MET 103 N 0.00 0.16 -0.75 2.19 2.86 -1.87 -1.46 114.93 116.05 3bim h MET 103 Ca 0.01 -0.17 0.10 0.00 -2.06 0.00 0.00 59.70 57.59 3bim h MET 103 Cb 0.13 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 31.76 3bim h MET 103 CO -0.00 0.90 0.39 0.00 1.06 0.00 0.00 176.91 179.26 3bim h ALA 104 N 0.26 1.06 0.19 6.32 0.00 -1.64 -0.61 119.26 124.83 3bim h ALA 104 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3bim h ALA 104 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3bim h ALA 104 CO 0.04 -0.03 -0.09 0.28 0.00 0.00 0.00 179.25 179.45 3bim h VAL 105 N 0.64 0.85 -0.70 0.00 2.07 -0.78 -0.86 116.25 117.46 3bim h VAL 105 Ca 0.38 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 3bim h VAL 105 Cb 0.41 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3bim h VAL 105 CO -0.28 0.04 0.42 -0.03 0.02 0.00 0.00 177.57 177.73 3bim h MET 106 N -0.34 0.95 -0.39 1.57 -1.53 -1.10 0.19 114.93 114.28 3bim h MET 106 Ca -0.03 -0.09 -0.07 0.00 -3.44 0.00 0.00 59.70 56.08 3bim h MET 106 Cb 0.26 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 31.09 3bim h MET 106 CO 0.04 0.68 -0.04 0.00 0.14 0.00 0.00 176.91 177.73 3bim h ALA 107 N 1.22 1.21 -0.25 0.39 0.00 -0.93 -1.62 119.26 119.27 3bim h ALA 107 Ca 0.25 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3bim h ALA 107 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3bim h ALA 107 CO -0.05 0.52 -0.51 1.15 0.00 0.00 0.00 179.25 180.36 3bim h THR 108 N 0.60 1.29 -0.90 0.00 2.02 -0.56 -2.33 112.91 113.03 3bim h THR 108 Ca 0.12 -1.71 0.04 0.00 0.77 0.00 0.00 66.41 65.62 3bim h THR 108 Cb 0.44 1.73 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 3bim h THR 108 CO 0.02 0.55 0.58 0.00 0.37 0.00 0.00 175.52 177.04 3bim h ALA 109 N 0.64 1.20 0.02 6.16 0.00 -0.84 -0.61 119.26 125.83 3bim h ALA 109 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3bim h ALA 109 Cb 1.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3bim h ALA 109 CO 0.11 0.43 -0.11 1.98 0.00 0.00 0.00 179.25 181.67 3bim h MET 110 N 1.12 -0.19 -0.91 0.00 4.05 -1.18 -0.78 114.93 117.04 3bim h MET 110 Ca 0.36 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.80 3bim h MET 110 Cb 0.02 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 3bim h MET 110 CO -0.13 -0.13 0.57 -0.92 0.23 0.00 0.00 176.91 176.54 3bim h TYR 111 N -0.19 1.17 0.00 1.39 3.20 -0.85 -2.36 116.97 119.33 3bim h TYR 111 Ca 0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3bim h TYR 111 Cb 0.23 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.11 3bim h TYR 111 CO -0.16 0.76 0.00 1.28 -1.64 0.00 0.00 178.16 178.40 3bim n LEU 112 N -4.42 0.00 -3.37 2.82 4.77 -0.29 -4.72 117.00 111.79 3bim n LEU 112 Ca 0.10 0.27 -0.18 0.00 -0.03 0.00 0.00 56.01 56.17 3bim n LEU 112 Cb 0.04 -0.27 0.07 0.00 -2.33 0.00 0.00 43.42 40.92 3bim n LEU 112 CO 0.37 -0.04 0.03 0.00 -1.33 0.00 0.00 177.39 176.42 3bim n GLN 113 N -1.27 -3.22 -3.89 3.23 6.02 -0.82 -2.25 117.38 115.17 3bim n GLN 113 Ca 0.13 0.80 -0.30 0.00 -0.01 0.00 0.00 57.00 57.62 3bim n GLN 113 Cb 0.20 -5.59 -0.12 0.00 1.02 0.00 0.00 30.24 25.75 3bim n GLN 113 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3bim s MET 114 N -4.90 2.36 0.06 -1.09 -1.94 -0.36 -3.79 119.30 109.64 3bim s MET 114 Ca 0.33 -3.06 -0.16 0.00 -1.71 0.00 0.00 55.69 51.09 3bim s MET 114 Cb -0.06 -3.44 -0.17 0.00 2.01 0.00 0.00 34.83 33.17 3bim s MET 114 CO 0.76 -1.22 1.26 1.49 -0.01 0.00 0.00 175.02 177.30 3bim h GLU 115 N 5.89 0.61 -0.20 2.03 4.57 -1.94 -2.11 114.58 123.43 3bim h GLU 115 Ca 0.06 -0.49 0.06 0.00 -1.18 0.00 0.00 59.36 57.81 3bim h GLU 115 Cb 0.81 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 3bim h GLU 115 CO 0.72 1.11 0.26 1.12 -1.18 0.00 0.00 179.01 181.04 3bim h HIS 116 N 0.25 0.00 0.07 0.92 2.07 -1.97 0.62 115.15 117.12 3bim h HIS 116 Ca -0.04 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.20 3bim h HIS 116 Cb 1.22 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.22 3bim h HIS 116 CO 0.10 0.00 -1.16 0.28 -3.07 0.00 0.00 177.93 174.08 3bim h VAL 117 N 0.00 1.29 0.41 6.12 2.07 -1.78 -2.85 116.25 121.52 3bim h VAL 117 Ca 0.10 -2.41 -0.01 0.00 0.82 0.00 0.00 66.70 65.20 3bim h VAL 117 Cb 0.61 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 3bim h VAL 117 CO -0.00 0.73 -0.29 0.58 0.02 0.00 0.00 177.57 178.62 3bim h VAL 118 N 0.31 0.41 -0.72 2.57 2.07 -0.76 0.11 116.25 120.24 3bim h VAL 118 Ca -0.16 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.51 3bim h VAL 118 Cb 1.83 0.41 -0.10 0.00 -1.52 0.00 0.00 31.29 31.90 3bim h VAL 118 CO 0.22 0.00 0.19 0.44 0.02 0.00 0.00 177.57 178.44 3bim h ASP 119 N -0.68 0.05 -0.07 0.57 3.32 -1.18 0.67 116.42 119.10 3bim h ASP 119 Ca -0.04 0.13 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 3bim h ASP 119 Cb 0.57 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3bim h ASP 119 CO 0.02 -0.01 -0.27 0.74 -1.72 0.00 0.00 179.24 178.00 3bim h THR 120 N 0.29 1.27 -0.32 0.35 2.02 -1.39 0.44 112.91 115.59 3bim h THR 120 Ca 0.40 -1.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.17 3bim h THR 120 Cb 0.66 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 3bim h THR 120 CO -0.48 0.42 -0.14 0.00 0.37 0.00 0.00 175.52 175.70 3bim h ARG 122 N 0.51 -0.03 -0.98 0.00 2.43 0.93 -3.12 114.38 114.11 3bim h ARG 122 Ca 0.09 0.00 0.29 0.00 -0.81 0.00 0.00 59.98 59.55 3bim h ARG 122 Cb 0.54 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 3bim h ARG 122 CO 0.03 -0.02 1.19 1.63 -1.51 0.00 0.00 179.97 181.29 3bim n LYS 123 N -2.12 0.01 0.19 0.20 5.02 0.15 0.75 118.16 122.35 3bim n LYS 123 Ca -0.00 0.99 0.13 0.00 -2.02 0.00 0.00 58.31 57.41 3bim n LYS 123 Cb 0.01 -2.47 0.36 0.00 -0.02 0.00 0.00 35.03 32.91 3bim n LYS 123 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3bim h PHE 124 N 0.00 0.00 -1.01 2.13 3.57 -1.34 -3.16 116.94 117.12 3bim h PHE 124 Ca 0.47 0.00 -0.74 0.00 3.53 0.00 0.00 57.97 61.23 3bim h PHE 124 Cb 2.84 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 41.46 3bim h PHE 124 CO 0.00 0.00 2.43 0.44 -2.23 0.00 0.00 178.31 178.95 3bim n ILE 125 N -2.76 4.41 0.00 1.41 -0.00 0.23 -4.43 119.36 118.22 3bim n ILE 125 Ca 0.04 -4.03 0.00 0.00 -0.00 0.00 0.00 62.75 58.76 3bim n ILE 125 Cb 0.43 -2.35 0.00 0.00 -0.00 0.00 0.00 39.64 37.72 3bim n ILE 125 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 3bim n LYS 126 N 3.70 0.00 0.00 6.28 4.76 -1.20 -5.08 118.16 126.62 3bim n LYS 126 Ca 0.50 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.96 3bim n LYS 126 Cb 0.33 -0.09 0.16 0.00 -1.84 0.00 0.00 35.03 33.59 3bim n LYS 126 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03