#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bim s ASP 6 N 0.00 6.51 0.16 0.00 2.15 -1.26 -5.08 116.67 119.14 3bim s ASP 6 Ca 0.00 0.82 -0.25 0.00 0.43 0.00 0.00 52.55 53.55 3bim s ASP 6 Cb 0.00 -2.19 0.06 0.00 -0.30 0.00 0.00 42.92 40.50 3bim s ASP 6 CO 0.00 -0.18 0.93 -0.55 -0.17 0.00 0.00 175.17 175.20 3bim s SER 7 N -2.92 -0.19 -0.22 -0.34 0.15 -1.26 -5.14 113.70 103.78 3bim s SER 7 Ca 0.46 -0.40 -0.09 0.00 0.70 0.00 0.00 55.95 56.61 3bim s SER 7 Cb -0.11 0.51 0.09 0.00 -1.71 0.00 0.00 66.02 64.79 3bim s SER 7 CO 0.27 -0.93 0.48 -1.58 1.20 0.00 0.00 173.24 172.69 3bim s GLN 8 N -3.34 0.42 -0.16 5.44 0.74 -1.26 -5.15 119.66 116.36 3bim s GLN 8 Ca 0.12 1.05 -0.03 0.00 0.05 0.00 0.00 55.36 56.55 3bim s GLN 8 Cb -0.02 0.29 -0.02 0.00 1.10 0.00 0.00 33.01 34.37 3bim s GLN 8 CO 0.02 -0.21 -0.05 0.42 -0.55 0.00 0.00 175.29 174.92 3bim s ILE 9 N 2.21 3.65 -0.22 -2.34 1.01 -1.26 -5.09 121.20 119.16 3bim s ILE 9 Ca -0.05 -0.44 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 3bim s ILE 9 Cb -0.10 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 3bim s ILE 9 CO -0.15 0.48 0.04 -1.58 0.00 0.00 0.00 174.94 173.74 3bim s GLN 10 N 0.57 3.65 -0.35 2.79 0.74 -1.26 -5.07 119.66 120.74 3bim s GLN 10 Ca -0.04 -0.49 -0.16 0.00 0.05 0.00 0.00 55.36 54.72 3bim s GLN 10 Cb -0.15 -3.21 -0.01 0.00 1.10 0.00 0.00 33.01 30.75 3bim s GLN 10 CO 0.03 -0.08 0.42 -0.06 -0.55 0.00 0.00 175.29 175.05 3bim s PHE 11 N 1.29 3.20 -0.98 1.67 0.40 -1.26 -4.94 117.98 117.36 3bim s PHE 11 Ca 0.04 0.04 0.24 0.00 -0.60 0.00 0.00 56.93 56.65 3bim s PHE 11 Cb -0.15 -2.78 1.00 0.00 0.51 0.00 0.00 43.02 41.60 3bim s PHE 11 CO 0.02 -0.49 1.75 0.25 0.70 0.00 0.00 175.22 177.46 3bim n THR 12 N 5.32 0.40 0.27 0.64 -2.24 -1.26 -2.93 114.28 114.47 3bim n THR 12 Ca -0.07 0.09 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 3bim n THR 12 Cb 0.49 -0.70 0.04 0.00 -2.10 0.00 0.00 70.33 68.07 3bim n THR 12 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3bim n ARG 13 N -1.54 0.48 0.11 -0.78 1.74 -1.26 -4.73 116.66 110.68 3bim n ARG 13 Ca 0.06 -1.10 -0.13 0.00 -0.77 0.00 0.00 57.85 55.91 3bim n ARG 13 Cb 0.28 -1.16 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 3bim n ARG 13 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3bim h HIS 14 N 1.54 -0.23 -0.35 -1.55 2.76 -1.96 -1.17 115.15 114.19 3bim h HIS 14 Ca 0.00 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3bim h HIS 14 Cb 0.38 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.38 3bim h HIS 14 CO 0.02 0.04 0.18 0.00 -1.30 0.00 0.00 177.93 176.87 3bim h ALA 15 N 0.29 0.43 -0.47 5.26 0.00 -1.85 0.23 119.26 123.16 3bim h ALA 15 Ca -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3bim h ALA 15 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3bim h ALA 15 CO 0.04 -0.19 0.27 1.03 0.00 0.00 0.00 179.25 180.41 3bim h SER 16 N 0.37 0.56 0.32 0.00 0.87 -1.86 0.22 113.55 114.03 3bim h SER 16 Ca 0.15 -0.03 -0.32 0.00 -1.23 0.00 0.00 61.79 60.36 3bim h SER 16 Cb 0.05 -0.14 0.03 0.00 -0.44 0.00 0.00 62.40 61.89 3bim h SER 16 CO -0.09 0.44 -1.39 0.44 -0.53 0.00 0.00 176.83 175.70 3bim h ASP 17 N 0.65 0.77 -0.24 6.23 3.32 0.17 -1.96 116.42 125.36 3bim h ASP 17 Ca 0.17 -0.80 0.03 0.00 0.02 0.00 0.00 57.03 56.45 3bim h ASP 17 Cb -0.01 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3bim h ASP 17 CO -0.03 1.62 0.07 0.58 -1.72 0.00 0.00 179.24 179.76 3bim h VAL 18 N 0.16 0.93 -0.71 -1.35 2.07 -0.37 -2.68 116.25 114.28 3bim h VAL 18 Ca -0.22 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 3bim h VAL 18 Cb 2.08 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 3bim h VAL 18 CO 0.25 0.03 0.29 0.25 0.02 0.00 0.00 177.57 178.42 3bim h LEU 19 N 0.18 0.98 -1.31 2.57 5.85 -0.86 -0.30 115.31 122.41 3bim h LEU 19 Ca 0.10 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3bim h LEU 19 Cb 0.08 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3bim h LEU 19 CO -0.11 0.88 0.16 0.25 -0.34 0.00 0.00 178.44 179.27 3bim h LEU 20 N 1.02 0.57 -0.02 2.25 6.46 -1.26 0.95 115.31 125.27 3bim h LEU 20 Ca 0.24 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 3bim h LEU 20 Cb 0.20 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.99 3bim h LEU 20 CO -0.02 0.53 -0.02 0.78 -0.62 0.00 0.00 178.44 179.09 3bim h ASN 21 N 0.62 0.06 -0.87 1.25 2.35 -1.05 -1.82 115.58 116.13 3bim h ASN 21 Ca 0.15 -0.49 0.22 0.00 -0.55 0.00 0.00 56.30 55.63 3bim h ASN 21 Cb 0.16 -0.02 -0.13 0.00 0.05 0.00 0.00 38.32 38.38 3bim h ASN 21 CO -0.01 0.53 0.29 -0.07 -1.65 0.00 0.00 177.43 176.52 3bim h LEU 22 N -0.42 0.13 -0.92 1.61 3.38 -0.67 0.15 115.31 118.59 3bim h LEU 22 Ca 0.00 0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3bim h LEU 22 Cb 0.52 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3bim h LEU 22 CO 0.01 -0.08 0.18 -1.13 0.09 0.00 0.00 178.44 177.51 3bim h ASN 23 N 0.29 0.91 -0.47 -0.43 -0.00 -0.69 -1.29 115.58 113.89 3bim h ASN 23 Ca 0.54 -0.16 -0.08 0.00 -0.00 0.00 0.00 56.30 56.59 3bim h ASN 23 Cb 1.05 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 39.11 3bim h ASN 23 CO -0.59 0.86 -0.02 0.03 -0.00 0.00 0.00 177.43 177.71 3bim h ARG 24 N 0.94 0.85 -0.94 6.67 2.47 -0.47 0.18 114.38 124.09 3bim h ARG 24 Ca 0.21 -0.28 0.02 0.00 -1.26 0.00 0.00 59.98 58.66 3bim h ARG 24 Cb 0.29 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.49 3bim h ARG 24 CO -0.01 0.91 0.62 -0.07 0.56 0.00 0.00 179.97 181.98 3bim h LEU 25 N 0.70 1.06 -0.10 3.04 3.38 -0.52 -1.43 115.31 121.44 3bim h LEU 25 Ca 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3bim h LEU 25 Cb 0.54 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3bim h LEU 25 CO 0.03 0.75 0.02 -0.09 0.09 0.00 0.00 178.44 179.24 3bim h ARG 26 N 1.24 0.16 0.00 1.13 2.43 -0.81 0.18 114.38 118.71 3bim h ARG 26 Ca 0.35 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.45 3bim h ARG 26 Cb -0.10 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3bim h ARG 26 CO -0.09 0.36 -0.17 1.03 -1.51 0.00 0.00 179.97 179.59 3bim h SER 27 N -0.07 0.00 0.30 -3.80 0.87 -0.38 -0.90 113.55 109.57 3bim h SER 27 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3bim h SER 27 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3bim h SER 27 CO 0.00 0.17 -0.54 0.54 -0.53 0.00 0.00 176.83 176.47 3bim n ARG 28 N -4.18 0.28 -2.73 2.24 1.74 -0.56 -4.96 116.66 108.49 3bim n ARG 28 Ca -0.02 -0.19 -0.06 0.00 -0.77 0.00 0.00 57.85 56.81 3bim n ARG 28 Cb 0.24 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.20 -3.00 -4.62 0.55 4.64 0.25 -5.03 116.55 108.15 3bim n ASP 29 Ca 0.07 -0.15 -0.34 0.00 -1.38 0.00 0.00 54.79 52.99 3bim n ASP 29 Cb 0.35 -1.73 -0.10 0.00 -1.04 0.00 0.00 41.12 38.59 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 -3.09 4.62 -0.36 5.18 1.01 0.37 -4.23 121.20 124.70 3bim s ILE 30 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3bim s ILE 30 Cb -0.06 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.35 3bim s ILE 30 CO 0.20 0.48 0.00 0.18 0.00 0.00 0.00 174.94 175.80 3bim n LEU 31 N 3.39 0.30 -4.70 2.97 7.99 -1.26 -4.63 117.00 121.06 3bim n LEU 31 Ca -0.17 0.08 -0.44 0.00 -0.01 0.00 0.00 56.01 55.48 3bim n LEU 31 Cb 0.52 -1.98 -0.02 0.00 -0.11 0.00 0.00 43.42 41.83 3bim n LEU 31 CO 0.34 -0.73 1.13 0.35 -1.51 0.00 0.00 177.39 176.98 3bim n THR 32 N -1.55 0.80 -0.45 -5.08 -2.24 -1.26 -4.88 114.28 99.62 3bim n THR 32 Ca -0.03 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3bim n THR 32 Cb 0.39 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 3bim n THR 32 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3bim n ASP 33 N 2.43 0.93 -3.74 3.42 3.85 -0.83 -4.95 116.55 117.66 3bim n ASP 33 Ca 0.12 -1.37 -0.13 0.00 -0.71 0.00 0.00 54.79 52.69 3bim n ASP 33 Cb 0.33 0.00 -0.09 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 -0.37 0.02 -0.10 2.12 0.11 -1.15 -4.67 120.40 116.35 3bim s VAL 34 Ca 0.00 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 58.85 3bim s VAL 34 Cb 0.00 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 3bim s VAL 34 CO 0.00 -0.10 -0.04 -0.69 -3.33 0.00 0.00 175.10 170.94 3bim s VAL 35 N -0.45 3.97 -0.21 2.04 1.01 0.37 -1.83 120.40 125.29 3bim s VAL 35 Ca -0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 3bim s VAL 35 Cb -0.04 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 3bim s VAL 35 CO 0.02 0.57 -0.06 -0.63 0.00 0.00 0.00 175.10 175.01 3bim s ILE 36 N -0.50 3.28 -0.20 2.22 -1.09 0.03 -1.01 121.20 123.92 3bim s ILE 36 Ca 0.08 -0.53 -0.10 0.00 -2.23 0.00 0.00 60.65 57.88 3bim s ILE 36 Cb -0.12 -2.48 -0.05 0.00 -1.58 0.00 0.00 42.46 38.23 3bim s ILE 36 CO 0.02 0.44 0.12 -0.69 -1.23 0.00 0.00 174.94 173.60 3bim s VAL 37 N 1.42 5.36 -0.23 2.92 1.01 -0.13 -1.47 120.40 129.28 3bim s VAL 37 Ca 0.05 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 3bim s VAL 37 Cb -0.14 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.88 3bim s VAL 37 CO -0.04 0.44 0.13 -0.69 0.00 0.00 0.00 175.10 174.94 3bim s VAL 38 N 0.36 -0.12 0.00 2.92 1.01 -0.16 -1.88 120.40 122.54 3bim s VAL 38 Ca 0.08 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3bim s VAL 38 Cb -0.11 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3bim s VAL 38 CO -0.02 -0.47 0.00 -1.20 0.00 0.00 0.00 175.10 173.41 3bim n SER 39 N 5.27 0.00 -0.12 3.32 7.64 -1.26 -1.45 113.62 127.02 3bim n SER 39 Ca -0.06 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.94 3bim n SER 39 Cb 0.46 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.84 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 14.00 0.36 -2.78 1.43 1.74 -1.26 -4.97 116.66 125.18 3bim n ARG 40 Ca 0.00 -0.25 -0.31 0.00 -0.77 0.00 0.00 57.85 56.52 3bim n ARG 40 Cb 0.00 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 29.91 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 -2.81 3.86 0.03 5.56 0.41 -0.53 -5.09 118.70 120.14 3bim s GLU 41 Ca 0.15 0.63 0.06 0.00 -0.41 0.00 0.00 54.97 55.39 3bim s GLU 41 Cb 0.18 -2.33 -0.02 0.00 -1.78 0.00 0.00 34.13 30.18 3bim s GLU 41 CO 0.67 -0.07 -0.16 -0.65 -0.49 0.00 0.00 175.26 174.56 3bim s GLN 42 N -3.77 1.13 -0.09 1.61 -0.21 -1.26 -0.99 119.66 116.08 3bim s GLN 42 Ca 0.54 -0.79 -0.03 0.00 0.02 0.00 0.00 55.36 55.10 3bim s GLN 42 Cb -0.10 -1.17 0.04 0.00 1.00 0.00 0.00 33.01 32.78 3bim s GLN 42 CO 0.29 0.30 0.06 -0.06 -2.12 0.00 0.00 175.29 173.75 3bim s PHE 43 N -0.76 0.27 0.17 0.91 0.40 -0.54 -4.95 117.98 113.47 3bim s PHE 43 Ca 0.04 -0.04 -0.09 0.00 -0.60 0.00 0.00 56.93 56.25 3bim s PHE 43 Cb -0.08 -0.63 -0.06 0.00 0.51 0.00 0.00 43.02 42.76 3bim s PHE 43 CO 0.01 -0.32 0.47 1.03 0.70 0.00 0.00 175.22 177.11 3bim s ARG 44 N 2.11 3.76 0.08 0.44 0.52 -1.26 -0.79 118.95 123.81 3bim s ARG 44 Ca 0.04 0.17 -0.09 0.00 -0.52 0.00 0.00 55.73 55.34 3bim s ARG 44 Cb -0.13 -2.80 0.03 0.00 0.52 0.00 0.00 34.95 32.57 3bim s ARG 44 CO -0.05 0.42 0.41 0.00 0.02 0.00 0.00 175.30 176.11 3bim n ALA 45 N 0.22 -1.07 -2.98 2.13 0.00 -0.76 -5.00 120.51 113.05 3bim n ALA 45 Ca -0.03 -0.43 -0.33 0.00 0.00 0.00 0.00 53.44 52.65 3bim n ALA 45 Cb 0.52 0.25 -0.13 0.00 0.00 0.00 0.00 19.45 20.09 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 -4.57 2.95 0.19 0.00 3.76 -1.26 -1.96 115.29 114.41 3bim s HIS 46 Ca 0.09 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.48 3bim s HIS 46 Cb -0.01 -1.91 0.11 0.00 1.11 0.00 0.00 32.58 31.88 3bim s HIS 46 CO 0.02 -0.08 1.85 0.87 -0.85 0.00 0.00 174.74 176.55 3bim h LYS 47 N 6.66 0.78 -0.47 1.40 1.57 -1.93 -1.91 116.57 122.67 3bim h LYS 47 Ca -0.30 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 3bim h LYS 47 Cb 1.20 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 3bim h LYS 47 CO 0.60 0.52 0.15 1.79 -0.57 0.00 0.00 179.45 181.94 3bim h THR 48 N 0.80 1.19 -0.29 -0.16 1.35 -1.98 0.36 112.91 114.19 3bim h THR 48 Ca 0.23 -0.64 -0.16 0.00 -0.55 0.00 0.00 66.41 65.28 3bim h THR 48 Cb -0.06 0.68 -0.00 0.00 -1.73 0.00 0.00 68.15 67.04 3bim h THR 48 CO -0.06 0.24 -0.46 0.58 -0.25 0.00 0.00 175.52 175.57 3bim h VAL 49 N 0.67 1.29 -0.21 6.82 2.07 -1.85 -1.68 116.25 123.36 3bim h VAL 49 Ca 0.16 -1.64 0.02 0.00 0.82 0.00 0.00 66.70 66.06 3bim h VAL 49 Cb 0.20 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3bim h VAL 49 CO -0.01 0.53 0.06 -0.07 0.02 0.00 0.00 177.57 178.11 3bim h LEU 50 N 0.58 0.06 -1.77 2.57 3.38 -0.52 -2.41 115.31 117.21 3bim h LEU 50 Ca 0.02 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3bim h LEU 50 Cb 1.06 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3bim h LEU 50 CO 0.10 0.07 0.17 0.24 0.09 0.00 0.00 178.44 179.11 3bim h MET 51 N 0.16 0.31 0.00 1.13 2.86 -0.29 -0.94 114.93 118.16 3bim h MET 51 Ca 0.09 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3bim h MET 51 Cb 0.07 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3bim h MET 51 CO -0.10 0.20 0.00 0.00 1.06 0.00 0.00 176.91 178.07 3bim h ALA 52 N 1.84 1.00 0.00 6.32 0.00 -0.94 -3.33 119.26 124.16 3bim h ALA 52 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 3bim h ALA 52 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3bim h ALA 52 CO -0.02 0.00 -1.92 0.00 0.00 0.00 0.00 179.25 177.30 3bim s SER 54 N -4.47 0.73 0.21 0.00 0.15 -0.41 -4.83 113.70 105.08 3bim s SER 54 Ca -0.07 -0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.43 3bim s SER 54 Cb 0.07 -0.32 0.16 0.00 -1.71 0.00 0.00 66.02 64.22 3bim s SER 54 CO 0.65 -0.04 1.63 1.23 1.20 0.00 0.00 173.24 177.90 3bim h GLY 55 N 6.99 0.89 0.16 9.45 0.00 -1.65 -0.13 103.07 118.78 3bim h GLY 55 Ca -0.38 -0.75 0.03 0.00 0.00 0.00 0.00 47.33 46.23 3bim h GLY 55 CO 0.48 0.68 -0.42 -2.00 0.00 0.00 0.00 176.54 175.28 3bim h LEU 56 N 0.72 -1.28 -0.59 3.11 5.85 -1.82 -0.88 115.31 120.42 3bim h LEU 56 Ca 0.10 0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.82 3bim h LEU 56 Cb 0.72 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3bim h LEU 56 CO 0.06 -0.47 -0.56 -0.26 -0.34 0.00 0.00 178.44 176.87 3bim h PHE 57 N -0.59 0.55 -0.69 1.25 0.05 -1.78 0.40 116.94 116.13 3bim h PHE 57 Ca 0.04 -0.20 0.11 0.00 3.82 0.00 0.00 57.97 61.74 3bim h PHE 57 Cb 0.66 -0.10 -0.08 0.00 2.00 0.00 0.00 35.95 38.43 3bim h PHE 57 CO -0.42 0.89 0.30 -0.92 -0.18 0.00 0.00 178.31 177.98 3bim h TYR 58 N 0.33 0.52 -0.04 -0.55 3.20 -0.96 0.11 116.97 119.59 3bim h TYR 58 Ca 0.00 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.73 3bim h TYR 58 Cb 1.08 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 3bim h TYR 58 CO 0.04 0.14 -0.75 0.66 -1.64 0.00 0.00 178.16 176.61 3bim h SER 59 N 0.49 0.35 0.53 -2.11 4.64 0.48 -2.36 113.55 115.58 3bim h SER 59 Ca 0.35 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3bim h SER 59 Cb 0.44 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3bim h SER 59 CO -0.32 0.98 -0.30 0.40 -0.87 0.00 0.00 176.83 176.72 3bim h ILE 60 N 0.19 0.39 0.00 0.95 2.04 -0.81 0.87 117.51 121.13 3bim h ILE 60 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3bim h ILE 60 Cb 1.33 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3bim h ILE 60 CO 0.12 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.76 3bim n PHE 61 N -5.44 0.00 0.22 1.37 0.99 0.36 -1.83 117.46 113.14 3bim n PHE 61 Ca -0.12 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.41 3bim n PHE 61 Cb 0.33 -0.14 -0.12 0.00 -1.00 0.00 0.00 39.48 38.55 3bim n PHE 61 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3bim n THR 62 N -1.14 0.00 -1.82 4.37 -1.04 -0.89 -4.31 114.28 109.45 3bim n THR 62 Ca 0.19 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.05 61.46 3bim n THR 62 Cb 0.17 0.36 -0.03 0.00 -1.82 0.00 0.00 70.33 69.02 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 -3.58 5.90 0.60 8.00 -1.08 0.29 -4.86 116.67 121.93 3bim s ASP 63 Ca -0.03 1.80 0.29 0.00 -0.52 0.00 0.00 52.55 54.09 3bim s ASP 63 Cb 0.11 -2.52 1.51 0.00 -1.46 0.00 0.00 42.92 40.57 3bim s ASP 63 CO 0.71 -1.62 1.92 0.06 0.52 0.00 0.00 175.17 176.75 3bim h GLN 64 N 12.99 0.00 0.02 4.34 -0.00 -1.90 0.61 115.11 131.17 3bim h GLN 64 Ca -0.39 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.05 3bim h GLN 64 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.67 3bim h GLN 64 CO 0.98 0.00 -0.94 -0.07 -0.00 0.00 0.00 178.83 178.80 3bim h LEU 65 N 0.00 0.23 -0.09 0.06 -0.00 -1.92 -3.39 115.31 110.20 3bim h LEU 65 Ca 0.17 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 3bim h LEU 65 Cb 1.03 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 3bim h LEU 65 CO -0.00 1.05 -0.61 0.29 -0.00 0.00 0.00 178.44 179.16 3bim n LYS 66 N -3.59 2.39 -0.07 1.13 5.02 0.20 -4.61 118.16 118.63 3bim n LYS 66 Ca -0.04 -0.08 0.17 0.00 -2.02 0.00 0.00 58.31 56.35 3bim n LYS 66 Cb 0.86 -1.16 0.59 0.00 -0.02 0.00 0.00 35.03 35.30 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 0.17 0.21 -0.64 1.97 2.43 -1.41 -1.83 114.38 115.28 3bim h ARG 67 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3bim h ARG 67 Cb 0.34 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3bim h ARG 67 CO 0.00 0.14 0.00 0.09 -1.51 0.00 0.00 179.97 178.69 3bim n ASN 68 N -4.43 4.62 -4.84 -3.80 3.02 -1.26 -4.94 115.26 103.63 3bim n ASN 68 Ca 0.12 -2.41 -0.31 0.00 -0.03 0.00 0.00 54.58 51.94 3bim n ASN 68 Cb 0.55 -0.56 0.03 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.78 3.14 0.00 3.41 2.01 -0.69 -4.98 118.68 119.78 3bim s LEU 69 Ca 0.50 1.50 0.00 0.00 0.01 0.00 0.00 54.13 56.14 3bim s LEU 69 Cb 0.32 -4.43 0.00 0.00 0.01 0.00 0.00 46.19 42.09 3bim s LEU 69 CO 0.25 -1.22 0.19 -1.54 1.01 0.00 0.00 176.35 175.03 3bim n SER 70 N -2.98 0.37 -4.26 2.29 3.41 -1.26 -4.90 113.62 106.30 3bim n SER 70 Ca 0.07 -0.81 -0.30 0.00 -0.26 0.00 0.00 58.87 57.57 3bim n SER 70 Cb 0.54 0.13 -0.16 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.13 1.93 -0.08 -3.33 1.01 -1.26 -0.48 120.40 118.07 3bim s VAL 71 Ca 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 3bim s VAL 71 Cb 0.00 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.78 3bim s VAL 71 CO 0.00 0.54 0.02 -0.63 0.00 0.00 0.00 175.10 175.03 3bim s ILE 72 N -0.27 0.25 -0.20 2.22 -1.09 -0.18 -4.96 121.20 116.98 3bim s ILE 72 Ca 0.00 0.14 -0.15 0.00 -2.23 0.00 0.00 60.65 58.41 3bim s ILE 72 Cb -0.12 -0.48 -0.04 0.00 -1.58 0.00 0.00 42.46 40.24 3bim s ILE 72 CO 0.02 0.18 0.37 0.20 -1.23 0.00 0.00 174.94 174.49 3bim s ASN 73 N 2.02 6.42 0.18 3.58 0.01 -1.26 -0.95 114.94 124.93 3bim s ASN 73 Ca 0.04 0.49 -0.02 0.00 -0.71 0.00 0.00 52.86 52.67 3bim s ASN 73 Cb -0.13 -2.22 -0.05 0.00 0.41 0.00 0.00 41.25 39.27 3bim s ASN 73 CO -0.05 -0.05 0.37 -0.76 -1.51 0.00 0.00 177.10 175.10 3bim s LEU 74 N 1.19 4.25 -0.15 0.60 1.43 -0.79 -4.97 118.68 120.25 3bim s LEU 74 Ca 0.18 0.43 -0.41 0.00 -1.03 0.00 0.00 54.13 53.30 3bim s LEU 74 Cb -0.14 -3.18 -0.20 0.00 0.03 0.00 0.00 46.19 42.70 3bim s LEU 74 CO 0.07 -0.00 1.20 -0.67 0.23 0.00 0.00 176.35 177.18 3bim n ASP 75 N -0.41 0.35 0.30 2.29 -0.08 -1.26 -4.74 116.55 112.99 3bim n ASP 75 Ca -0.04 1.14 0.16 0.00 -1.51 0.00 0.00 54.79 54.54 3bim n ASP 75 Cb 0.53 -0.89 0.87 0.00 2.34 0.00 0.00 41.12 43.97 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 3.53 0.00 0.00 -0.67 0.11 -1.95 -0.44 132.00 132.58 3bim h PRO 76 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3bim h PRO 76 Cb 1.38 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.49 3bim h PRO 76 CO 0.73 0.00 -0.07 1.49 -0.21 0.00 0.00 178.00 179.94 3bim h GLU 77 N 0.00 0.00 -6.72 1.05 4.81 -2.03 -3.44 114.58 108.25 3bim h GLU 77 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 3bim h GLU 77 Cb 0.38 0.00 0.06 0.00 0.63 0.00 0.00 28.75 29.81 3bim h GLU 77 CO 0.00 0.07 0.79 0.42 -0.73 0.00 0.00 179.01 179.56 3bim s ILE 78 N -3.42 2.62 -0.25 2.32 -1.09 -0.18 -4.98 121.20 116.23 3bim s ILE 78 Ca 0.04 0.51 -0.29 0.00 -2.23 0.00 0.00 60.65 58.68 3bim s ILE 78 Cb 0.07 -3.32 0.01 0.00 -1.58 0.00 0.00 42.46 37.64 3bim s ILE 78 CO 0.62 0.07 1.04 0.21 -1.23 0.00 0.00 174.94 175.66 3bim s ASN 79 N 0.53 7.05 0.20 3.58 3.84 -1.26 -4.61 114.94 124.27 3bim s ASN 79 Ca 0.62 1.29 -0.19 0.00 0.21 0.00 0.00 52.86 54.79 3bim s ASN 79 Cb -0.42 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 37.90 3bim s ASN 79 CO 0.41 -0.71 1.59 -0.65 -2.79 0.00 0.00 177.10 174.95 3bim h PRO 80 N 7.60 -0.12 -0.70 0.43 0.11 -1.94 0.18 132.00 137.56 3bim h PRO 80 Ca -0.19 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.97 3bim h PRO 80 Cb 1.06 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3bim h PRO 80 CO 0.99 -0.08 0.42 1.49 -0.21 0.00 0.00 178.00 180.60 3bim h GLU 81 N -0.13 0.76 -0.54 1.05 4.81 -1.97 -0.01 114.58 118.55 3bim h GLU 81 Ca 0.26 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 3bim h GLU 81 Cb 0.54 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3bim h GLU 81 CO -0.69 0.50 -0.07 0.78 -0.73 0.00 0.00 179.01 178.80 3bim h GLY 82 N 0.78 1.09 1.08 1.92 0.00 -1.71 -1.96 103.07 104.27 3bim h GLY 82 Ca 0.30 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 3bim h GLY 82 CO -0.16 0.78 0.02 -2.75 0.00 0.00 0.00 176.54 174.44 3bim h PHE 83 N 0.88 1.18 0.34 5.60 3.57 -0.05 -2.92 116.94 125.54 3bim h PHE 83 Ca 0.15 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 3bim h PHE 83 Cb 0.63 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 3bim h PHE 83 CO 0.04 1.03 -0.18 -0.97 -2.23 0.00 0.00 178.31 176.00 3bim h ASN 84 N 0.99 -0.44 -1.12 0.41 -0.00 -0.88 0.11 115.58 114.65 3bim h ASN 84 Ca 0.18 0.02 0.31 0.00 -0.00 0.00 0.00 56.30 56.82 3bim h ASN 84 Cb 0.54 0.12 -0.09 0.00 -0.00 0.00 0.00 38.32 38.89 3bim h ASN 84 CO 0.03 -0.30 0.74 0.40 -0.00 0.00 0.00 177.43 178.29 3bim h ILE 85 N -0.48 0.42 0.10 2.57 2.04 -1.36 0.48 117.51 121.28 3bim h ILE 85 Ca -0.04 -0.09 -0.29 0.00 1.00 0.00 0.00 64.86 65.43 3bim h ILE 85 Cb 0.39 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3bim h ILE 85 CO 0.06 0.05 -1.48 -0.07 0.00 0.00 0.00 178.15 176.71 3bim h LEU 86 N 0.27 0.32 -0.11 1.44 3.38 -1.12 -1.64 115.31 117.86 3bim h LEU 86 Ca 0.64 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3bim h LEU 86 Cb 1.85 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 3bim h LEU 86 CO -0.28 1.37 0.03 0.25 0.09 0.00 0.00 178.44 179.89 3bim h LEU 87 N 0.06 0.02 -0.05 1.67 5.85 0.61 0.32 115.31 123.80 3bim h LEU 87 Ca -0.22 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.54 3bim h LEU 87 Cb 1.99 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 43.00 3bim h LEU 87 CO 0.15 0.03 -0.10 0.44 -0.34 0.00 0.00 178.44 178.63 3bim h ASP 88 N 0.08 -0.29 -0.78 1.25 3.45 -1.00 -1.21 116.42 117.91 3bim h ASP 88 Ca 0.05 0.05 0.17 0.00 0.43 0.00 0.00 57.03 57.73 3bim h ASP 88 Cb 0.03 0.14 -0.11 0.00 -0.56 0.00 0.00 39.33 38.83 3bim h ASP 88 CO -0.05 -0.14 0.25 0.15 -1.57 0.00 0.00 179.24 177.88 3bim h PHE 89 N -0.14 0.41 -0.53 4.55 3.57 -1.16 0.40 116.94 124.04 3bim h PHE 89 Ca 0.05 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.67 3bim h PHE 89 Cb 0.22 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3bim h PHE 89 CO -0.19 -0.04 0.35 0.52 -2.23 0.00 0.00 178.31 176.73 3bim h MET 90 N 0.34 0.39 -0.01 1.11 2.86 0.29 0.62 114.93 120.52 3bim h MET 90 Ca 0.45 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.06 3bim h MET 90 Cb 0.76 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3bim h MET 90 CO -0.49 0.26 -0.44 0.66 1.06 0.00 0.00 176.91 177.96 3bim n TYR 91 N -4.47 0.00 0.00 -0.22 4.02 0.11 -4.56 117.16 112.04 3bim n TYR 91 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 3bim n TYR 91 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 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 -0.12 0.00 -0.92 -0.72 -2.24 0.68 -4.43 114.28 106.53 3bim n THR 92 Ca 0.08 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3bim n THR 92 Cb 0.41 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.43 -0.85 -4.41 3.42 7.64 0.18 -5.00 113.62 114.18 3bim n SER 93 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 3bim n SER 93 Cb 0.00 -0.65 -0.14 0.00 -1.01 0.00 0.00 64.21 62.41 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 -0.25 3.48 -0.35 1.43 0.52 -1.26 -5.03 118.95 117.48 3bim s ARG 94 Ca 0.00 -0.62 -0.10 0.00 -0.52 0.00 0.00 55.73 54.48 3bim s ARG 94 Cb 0.00 -2.77 0.02 0.00 0.52 0.00 0.00 34.95 32.72 3bim s ARG 94 CO 0.00 0.18 0.18 -1.17 0.02 0.00 0.00 175.30 174.52 3bim s LEU 95 N 0.47 4.50 -0.27 2.53 2.96 -1.26 -3.51 118.68 124.11 3bim s LEU 95 Ca -0.07 -0.85 -0.15 0.00 -0.22 0.00 0.00 54.13 52.85 3bim s LEU 95 Cb -0.15 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 3bim s LEU 95 CO 0.04 -0.32 0.36 0.20 -1.32 0.00 0.00 176.35 175.30 3bim s ASN 96 N 1.57 6.24 -0.02 3.68 -0.87 -1.26 -5.04 114.94 119.23 3bim s ASN 96 Ca 0.03 0.27 0.06 0.00 -1.57 0.00 0.00 52.86 51.64 3bim s ASN 96 Cb -0.18 -2.20 -0.01 0.00 -0.02 0.00 0.00 41.25 38.83 3bim s ASN 96 CO 0.06 -0.17 -0.18 -0.76 -2.57 0.00 0.00 177.10 173.48 3bim s LEU 97 N 2.01 2.02 0.02 0.60 1.43 -1.26 -4.95 118.68 118.55 3bim s LEU 97 Ca 0.14 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3bim s LEU 97 Cb -0.16 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 3bim s LEU 97 CO 0.10 0.22 -0.09 -0.60 0.23 0.00 0.00 176.35 176.20 3bim s ARG 98 N -0.37 0.66 0.23 1.70 3.52 -1.26 -5.06 118.95 118.37 3bim s ARG 98 Ca 0.06 -0.53 -0.08 0.00 -0.13 0.00 0.00 55.73 55.05 3bim s ARG 98 Cb -0.08 -0.59 0.35 0.00 -1.56 0.00 0.00 34.95 33.08 3bim s ARG 98 CO -0.00 0.15 1.29 0.39 -0.81 0.00 0.00 175.30 176.32 3bim n GLU 99 N 2.23 -0.09 -0.11 5.12 1.02 -1.26 -0.49 120.64 127.06 3bim n GLU 99 Ca -0.17 1.29 0.03 0.00 -0.02 0.00 0.00 57.16 58.29 3bim n GLU 99 Cb 0.56 -1.93 0.08 0.00 -0.02 0.00 0.00 31.44 30.14 3bim n GLU 99 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bim n GLY 100 N -1.50 0.12 0.00 0.62 0.00 -1.26 -3.97 105.19 99.20 3bim n GLY 100 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.06 0.92 0.10 1.61 0.23 0.36 -4.85 115.26 113.69 3bim n ASN 101 Ca 0.06 -0.34 0.05 0.00 -0.53 0.00 0.00 54.58 53.82 3bim n ASN 101 Cb 0.20 0.87 0.48 0.00 -2.08 0.00 0.00 39.78 39.25 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 0.00 1.09 -0.38 1.53 2.10 -1.66 0.53 117.51 120.72 3bim h ILE 102 Ca 0.00 -0.24 -0.01 0.00 1.08 0.00 0.00 64.86 65.69 3bim h ILE 102 Cb 0.00 0.78 -0.02 0.00 -1.09 0.00 0.00 36.82 36.49 3bim h ILE 102 CO 0.00 0.10 0.21 0.24 -1.08 0.00 0.00 178.15 177.62 3bim h MET 103 N 0.34 0.53 -0.73 2.19 2.86 -1.88 -0.69 114.93 117.54 3bim h MET 103 Ca 0.09 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 3bim h MET 103 Cb 0.04 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 3bim h MET 103 CO -0.01 0.42 0.22 0.00 1.06 0.00 0.00 176.91 178.60 3bim h ALA 104 N 1.08 1.02 0.02 6.32 0.00 -1.40 0.87 119.26 127.16 3bim h ALA 104 Ca 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3bim h ALA 104 Cb 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3bim h ALA 104 CO -0.02 0.66 -0.01 0.28 0.00 0.00 0.00 179.25 180.15 3bim h VAL 105 N 1.08 1.09 -0.21 0.00 2.07 -0.85 -0.05 116.25 119.38 3bim h VAL 105 Ca 0.23 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.47 3bim h VAL 105 Cb 0.31 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3bim h VAL 105 CO -0.01 0.08 -0.05 -0.03 0.02 0.00 0.00 177.57 177.59 3bim h MET 106 N -0.17 0.01 -0.80 1.57 -1.53 -0.98 0.16 114.93 113.19 3bim h MET 106 Ca -0.00 -0.00 0.04 0.00 -3.44 0.00 0.00 59.70 56.30 3bim h MET 106 Cb 0.16 -0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.15 3bim h MET 106 CO 0.00 0.00 0.50 0.00 0.14 0.00 0.00 176.91 177.56 3bim h ALA 107 N 1.21 1.07 -0.37 0.39 0.00 -0.69 -0.68 119.26 120.19 3bim h ALA 107 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3bim h ALA 107 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3bim h ALA 107 CO -0.22 0.27 -0.02 1.15 0.00 0.00 0.00 179.25 180.43 3bim h THR 108 N 0.94 1.27 -0.90 0.00 2.02 -0.51 -1.48 112.91 114.24 3bim h THR 108 Ca 0.33 -1.04 0.09 0.00 0.77 0.00 0.00 66.41 66.56 3bim h THR 108 Cb 0.09 1.20 -0.07 0.00 -1.74 0.00 0.00 68.15 67.63 3bim h THR 108 CO -0.14 0.35 0.55 0.00 0.37 0.00 0.00 175.52 176.64 3bim h ALA 109 N 0.86 1.29 -0.37 6.16 0.00 -0.12 0.11 119.26 127.19 3bim h ALA 109 Ca 0.10 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3bim h ALA 109 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3bim h ALA 109 CO 0.02 0.21 -0.08 0.00 0.00 0.00 0.00 179.25 179.41 3bim h MET 110 N 0.93 0.70 -0.75 0.00 -0.00 -0.88 0.03 114.93 114.95 3bim h MET 110 Ca 0.42 -0.26 0.03 0.00 -0.00 0.00 0.00 59.70 59.89 3bim h MET 110 Cb 0.33 -0.04 -0.04 0.00 -0.00 0.00 0.00 31.60 31.84 3bim h MET 110 CO -0.23 0.84 0.50 -0.92 -0.00 0.00 0.00 176.91 177.11 3bim h TYR 111 N 0.50 0.89 -0.00 -0.10 3.20 -0.44 -2.70 116.97 118.32 3bim h TYR 111 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3bim h TYR 111 Cb 0.58 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3bim h TYR 111 CO 0.05 0.52 -0.18 1.28 -1.64 0.00 0.00 178.16 178.19 3bim n LEU 112 N -4.45 0.21 -2.39 2.82 4.77 0.31 -4.74 117.00 113.54 3bim n LEU 112 Ca 0.10 0.28 -0.07 0.00 -0.03 0.00 0.00 56.01 56.28 3bim n LEU 112 Cb 0.11 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.86 3bim n LEU 112 CO 0.35 0.05 0.02 0.00 -1.33 0.00 0.00 177.39 176.48 3bim n GLN 113 N -1.45 -1.14 -3.42 3.23 6.02 -0.10 -2.86 117.38 117.66 3bim n GLN 113 Ca 0.07 0.46 -0.26 0.00 -0.01 0.00 0.00 57.00 57.26 3bim n GLN 113 Cb 0.33 -3.72 -0.09 0.00 1.02 0.00 0.00 30.24 27.78 3bim n GLN 113 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3bim n MET 114 N -2.36 0.94 -0.03 -1.09 2.81 -0.61 -3.87 117.12 112.91 3bim n MET 114 Ca -0.03 -3.61 -0.06 0.00 -1.81 0.00 0.00 57.70 52.19 3bim n MET 114 Cb 0.56 -1.71 0.14 0.00 -0.71 0.00 0.00 33.22 31.50 3bim n MET 114 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3bim h GLU 115 N 4.89 0.62 -0.17 0.03 3.07 -1.95 -2.39 114.58 118.67 3bim h GLU 115 Ca 0.18 -0.24 -0.09 0.00 -0.50 0.00 0.00 59.36 58.71 3bim h GLU 115 Cb 0.84 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 3bim h GLU 115 CO 0.52 0.81 -0.28 1.12 -1.40 0.00 0.00 179.01 179.78 3bim h HIS 116 N 0.54 0.36 0.21 4.33 2.07 -1.97 0.25 115.15 120.94 3bim h HIS 116 Ca 0.08 -0.07 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 3bim h HIS 116 Cb 0.71 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.61 3bim h HIS 116 CO 0.03 0.58 -0.10 0.28 -3.07 0.00 0.00 177.93 175.65 3bim h VAL 117 N 0.29 0.86 -0.34 6.12 2.07 -1.86 -0.66 116.25 122.73 3bim h VAL 117 Ca 0.04 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.17 3bim h VAL 117 Cb 0.65 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 3bim h VAL 117 CO 0.05 0.10 -0.36 0.58 0.02 0.00 0.00 177.57 177.95 3bim h VAL 118 N -0.50 0.00 -0.55 2.57 2.07 -0.95 -0.06 116.25 118.83 3bim h VAL 118 Ca -0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 3bim h VAL 118 Cb 0.38 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.04 3bim h VAL 118 CO 0.05 0.00 -0.26 0.44 0.02 0.00 0.00 177.57 177.82 3bim h ASP 119 N -0.21 -0.91 -0.88 0.57 3.32 -0.53 -0.33 116.42 117.46 3bim h ASP 119 Ca 0.06 0.20 0.12 0.00 0.02 0.00 0.00 57.03 57.43 3bim h ASP 119 Cb 0.36 0.48 -0.07 0.00 0.22 0.00 0.00 39.33 40.32 3bim h ASP 119 CO -0.43 -0.27 0.57 0.74 -1.72 0.00 0.00 179.24 178.13 3bim h THR 120 N -0.13 0.90 0.45 0.35 2.02 -0.26 -0.25 112.91 116.00 3bim h THR 120 Ca 0.24 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 3bim h THR 120 Cb 0.51 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3bim h THR 120 CO -0.62 0.14 -0.22 0.00 0.37 0.00 0.00 175.52 175.19 3bim n ARG 122 N -5.31 0.00 0.04 0.00 0.63 -0.72 -1.27 116.66 110.03 3bim n ARG 122 Ca -0.11 0.80 0.01 0.00 -0.92 0.00 0.00 57.85 57.63 3bim n ARG 122 Cb 0.28 -1.43 0.08 0.00 0.45 0.00 0.00 32.46 31.84 3bim n ARG 122 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3bim n LYS 123 N -2.47 0.02 -0.07 -0.14 4.81 -0.18 -0.55 118.16 119.57 3bim n LYS 123 Ca 0.00 0.34 -0.13 0.00 -0.87 0.00 0.00 58.31 57.65 3bim n LYS 123 Cb 0.00 -1.82 -0.12 0.00 0.02 0.00 0.00 35.03 33.11 3bim n LYS 123 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 3bim h PHE 124 N 0.00 0.00 -0.22 5.64 3.57 -0.33 -3.43 116.94 122.17 3bim h PHE 124 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3bim h PHE 124 Cb 0.51 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 3bim h PHE 124 CO 0.00 0.95 0.08 -0.89 -2.23 0.00 0.00 178.31 176.22 3bim n ILE 125 N -4.62 0.00 0.62 1.41 5.41 0.29 -4.45 119.36 118.01 3bim n ILE 125 Ca -0.10 -0.30 0.06 0.00 1.00 0.00 0.00 62.75 63.41 3bim n ILE 125 Cb 0.45 -1.90 -0.06 0.00 -0.71 0.00 0.00 39.64 37.43 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 8.36 2.47 -2.24 0.38 4.76 -1.26 -4.42 118.16 126.22 3bim n LYS 126 Ca 0.44 -0.17 -0.42 0.00 -2.87 0.00 0.00 58.31 55.30 3bim n LYS 126 Cb 0.44 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 3bim n LYS 126 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bim n ALA 127 N -1.05 5.95 -3.32 7.82 0.00 -1.26 -4.95 120.51 123.70 3bim n ALA 127 Ca 0.03 -4.26 -0.13 0.00 0.00 0.00 0.00 53.44 49.08 3bim n ALA 127 Cb 0.22 -2.85 -0.10 0.00 0.00 0.00 0.00 19.45 16.73 3bim n ALA 127 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3bim s SER 128 N 0.48 -0.42 0.00 0.00 0.01 -1.26 -5.19 113.70 107.31 3bim s SER 128 Ca 0.45 0.75 0.25 0.00 1.31 0.00 0.00 55.95 58.71 3bim s SER 128 Cb 0.13 0.79 0.30 0.00 0.21 0.00 0.00 66.02 67.44 3bim s SER 128 CO -0.03 -0.20 1.32 -1.84 0.41 0.00 0.00 173.24 172.90