#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bim s GLN 8 N 0.00 0.62 -0.16 -1.46 0.74 -1.26 -5.17 119.66 112.97 3bim s GLN 8 Ca 0.00 1.22 -0.02 0.00 0.05 0.00 0.00 55.36 56.61 3bim s GLN 8 Cb 0.00 0.37 -0.02 0.00 1.10 0.00 0.00 33.01 34.46 3bim s GLN 8 CO 0.00 -0.16 -0.09 0.42 -0.55 0.00 0.00 175.29 174.92 3bim s ILE 9 N 2.03 3.35 -0.18 -2.34 1.01 -1.26 -5.10 121.20 118.71 3bim s ILE 9 Ca -0.08 -0.54 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 3bim s ILE 9 Cb -0.07 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 3bim s ILE 9 CO -0.19 0.49 0.29 -1.58 0.00 0.00 0.00 174.94 173.95 3bim s GLN 10 N 0.59 4.22 -0.70 2.79 0.74 -1.26 -5.04 119.66 121.00 3bim s GLN 10 Ca -0.05 0.05 -0.16 0.00 0.05 0.00 0.00 55.36 55.25 3bim s GLN 10 Cb -0.15 -3.46 0.16 0.00 1.10 0.00 0.00 33.01 30.66 3bim s GLN 10 CO 0.03 0.17 0.71 -0.06 -0.55 0.00 0.00 175.29 175.59 3bim s PHE 11 N 0.68 3.40 -0.19 1.67 0.40 -1.26 -4.93 117.98 117.75 3bim s PHE 11 Ca 0.15 -1.52 0.23 0.00 -0.60 0.00 0.00 56.93 55.19 3bim s PHE 11 Cb -0.13 -3.89 1.22 0.00 0.51 0.00 0.00 43.02 40.73 3bim s PHE 11 CO 0.04 -1.10 1.72 1.79 0.70 0.00 0.00 175.22 178.36 3bim h THR 12 N 5.44 0.00 -0.23 0.64 1.35 -2.06 0.01 112.91 118.06 3bim h THR 12 Ca -0.09 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 3bim h THR 12 Cb 1.07 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3bim h THR 12 CO 0.94 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 174.10 3bim n ARG 13 N -2.32 2.78 0.36 4.72 1.85 -1.26 -4.69 116.66 118.11 3bim n ARG 13 Ca -0.01 -2.17 -0.18 0.00 -1.00 0.00 0.00 57.85 54.49 3bim n ARG 13 Cb 0.07 -1.37 -0.09 0.00 -1.05 0.00 0.00 32.46 30.02 3bim n ARG 13 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 3bim h HIS 14 N 1.43 -0.83 -0.39 2.89 2.76 -1.41 0.72 115.15 120.32 3bim h HIS 14 Ca 0.00 -0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.22 3bim h HIS 14 Cb 0.88 0.28 -0.06 0.00 1.55 0.00 0.00 27.41 30.05 3bim h HIS 14 CO 0.23 -0.50 -0.01 0.00 -1.30 0.00 0.00 177.93 176.34 3bim h ALA 15 N -0.64 0.35 -0.86 5.26 0.00 -1.84 0.21 119.26 121.75 3bim h ALA 15 Ca -0.09 0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3bim h ALA 15 Cb 0.70 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3bim h ALA 15 CO 0.15 -0.40 0.53 1.03 0.00 0.00 0.00 179.25 180.56 3bim h SER 16 N 0.09 0.85 -0.31 0.00 0.87 -1.84 0.89 113.55 114.10 3bim h SER 16 Ca 0.19 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 3bim h SER 16 Cb 0.28 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3bim h SER 16 CO -0.33 0.55 0.06 0.44 -0.53 0.00 0.00 176.83 177.02 3bim h ASP 17 N 0.98 0.48 -0.27 6.23 3.32 0.51 -1.68 116.42 126.00 3bim h ASP 17 Ca 0.37 -0.24 0.05 0.00 0.02 0.00 0.00 57.03 57.23 3bim h ASP 17 Cb 0.15 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 3bim h ASP 17 CO -0.16 0.60 -0.08 0.58 -1.72 0.00 0.00 179.24 178.46 3bim h VAL 18 N 0.34 0.71 -0.84 -1.35 2.07 0.04 -2.03 116.25 115.19 3bim h VAL 18 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 3bim h VAL 18 Cb 0.31 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3bim h VAL 18 CO 0.00 0.00 0.51 0.25 0.02 0.00 0.00 177.57 178.35 3bim h LEU 19 N -0.01 1.00 -1.09 2.57 5.85 -0.76 0.23 115.31 123.10 3bim h LEU 19 Ca 0.13 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3bim h LEU 19 Cb 0.21 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3bim h LEU 19 CO -0.28 0.76 0.62 0.25 -0.34 0.00 0.00 178.44 179.45 3bim h LEU 20 N 1.15 1.06 -0.07 2.25 5.85 -0.87 0.14 115.31 124.82 3bim h LEU 20 Ca 0.30 -0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.79 3bim h LEU 20 Cb -0.05 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 40.73 3bim h LEU 20 CO -0.06 0.76 -0.77 0.78 -0.34 0.00 0.00 178.44 178.82 3bim h ASN 21 N 1.25 0.79 -0.74 1.25 2.35 -0.45 -1.44 115.58 118.60 3bim h ASN 21 Ca 0.35 -0.69 0.12 0.00 -0.55 0.00 0.00 56.30 55.53 3bim h ASN 21 Cb -0.12 -0.24 -0.08 0.00 0.05 0.00 0.00 38.32 37.93 3bim h ASN 21 CO -0.08 1.37 0.33 -0.07 -1.65 0.00 0.00 177.43 177.33 3bim h LEU 22 N 0.29 0.38 -0.35 1.61 3.38 -0.46 0.47 115.31 120.63 3bim h LEU 22 Ca -0.08 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3bim h LEU 22 Cb 1.42 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 3bim h LEU 22 CO 0.15 0.19 0.23 -1.13 0.09 0.00 0.00 178.44 177.97 3bim h ASN 23 N 0.53 0.41 0.84 -0.43 -0.00 -0.56 -1.00 115.58 115.36 3bim h ASN 23 Ca 0.39 -0.02 -0.08 0.00 -0.00 0.00 0.00 56.30 56.59 3bim h ASN 23 Cb 0.51 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.71 3bim h ASN 23 CO -0.34 0.30 -0.36 0.08 -0.00 0.00 0.00 177.43 177.12 3bim h ARG 24 N 0.47 0.00 -0.74 6.67 0.11 -0.38 0.76 114.38 121.28 3bim h ARG 24 Ca 0.13 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.19 3bim h ARG 24 Cb -0.05 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.00 3bim h ARG 24 CO -0.03 0.36 0.37 -0.07 0.10 0.00 0.00 179.97 180.70 3bim h LEU 25 N 0.00 0.95 0.17 0.08 3.38 0.13 -2.45 115.31 117.57 3bim h LEU 25 Ca -0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3bim h LEU 25 Cb 0.87 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3bim h LEU 25 CO 0.05 0.80 -0.08 -0.09 0.09 0.00 0.00 178.44 179.21 3bim h ARG 26 N 1.03 -0.22 0.00 1.13 2.43 0.20 0.13 114.38 119.08 3bim h ARG 26 Ca 0.26 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3bim h ARG 26 Cb 0.09 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3bim h ARG 26 CO -0.04 0.06 0.10 0.66 -1.51 0.00 0.00 179.97 179.25 3bim h SER 27 N -0.51 0.00 -0.32 -3.80 4.64 -0.83 0.24 113.55 112.98 3bim h SER 27 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3bim h SER 27 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3bim h SER 27 CO 0.04 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.54 3bim n ARG 28 N -2.88 2.62 -2.93 4.77 1.74 -0.93 -5.00 116.66 114.06 3bim n ARG 28 Ca -0.02 -1.96 -0.14 0.00 -0.77 0.00 0.00 57.85 54.95 3bim n ARG 28 Cb 0.16 -1.27 0.03 0.00 -1.02 0.00 0.00 32.46 30.36 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 0.54 -4.47 -4.58 0.55 4.64 0.07 -4.97 116.55 108.33 3bim n ASP 29 Ca 0.11 -0.25 -0.39 0.00 -1.38 0.00 0.00 54.79 52.88 3bim n ASP 29 Cb 0.41 -3.20 -0.10 0.00 -1.04 0.00 0.00 41.12 37.19 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 -3.05 5.24 0.00 5.18 1.01 0.33 -4.34 121.20 125.57 3bim s ILE 30 Ca 0.27 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.14 3bim s ILE 30 Cb -0.12 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.69 3bim s ILE 30 CO 0.33 0.13 0.00 0.18 0.00 0.00 0.00 174.94 175.58 3bim n LEU 31 N 5.21 0.86 -4.66 2.97 4.77 -1.26 -4.67 117.00 120.22 3bim n LEU 31 Ca -0.11 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.41 3bim n LEU 31 Cb 0.51 -2.01 -0.04 0.00 -2.33 0.00 0.00 43.42 39.55 3bim n LEU 31 CO 0.36 -0.76 1.10 0.35 -1.33 0.00 0.00 177.39 177.11 3bim n THR 32 N -2.11 0.36 -0.32 -5.08 -2.24 -1.26 -4.87 114.28 98.76 3bim n THR 32 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3bim n THR 32 Cb 0.33 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 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 2.87 1.37 -3.67 3.42 3.85 -0.81 -4.94 116.55 118.63 3bim n ASP 33 Ca 0.15 -1.69 -0.14 0.00 -0.71 0.00 0.00 54.79 52.40 3bim n ASP 33 Cb 0.29 -0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 39.98 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 -0.69 0.01 -0.16 2.12 0.11 -1.18 -4.60 120.40 116.00 3bim s VAL 34 Ca 0.00 -0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 58.93 3bim s VAL 34 Cb 0.00 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 3bim s VAL 34 CO 0.00 -0.05 -0.04 -0.69 -3.33 0.00 0.00 175.10 170.99 3bim s VAL 35 N -0.30 3.82 -0.36 2.04 1.01 0.66 -1.60 120.40 125.68 3bim s VAL 35 Ca -0.05 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 3bim s VAL 35 Cb -0.03 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 3bim s VAL 35 CO 0.03 0.48 0.47 -0.63 0.00 0.00 0.00 175.10 175.45 3bim s ILE 36 N 0.52 5.06 -0.28 2.22 -1.09 0.09 -0.26 121.20 127.45 3bim s ILE 36 Ca -0.03 0.18 -0.17 0.00 -2.23 0.00 0.00 60.65 58.39 3bim s ILE 36 Cb -0.14 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.77 3bim s ILE 36 CO 0.03 -0.22 0.48 -0.69 -1.23 0.00 0.00 174.94 173.31 3bim s VAL 37 N 2.28 5.08 -0.47 2.92 1.01 0.40 -0.51 120.40 131.12 3bim s VAL 37 Ca 0.16 0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.85 3bim s VAL 37 Cb -0.16 -3.83 0.12 0.00 0.00 0.00 0.00 36.38 32.52 3bim s VAL 37 CO 0.13 0.03 0.21 -0.69 0.00 0.00 0.00 175.10 174.78 3bim s VAL 38 N 2.27 2.68 0.00 2.92 1.01 0.28 -0.74 120.40 128.82 3bim s VAL 38 Ca 0.19 -2.88 0.00 0.00 0.00 0.00 0.00 61.98 59.29 3bim s VAL 38 Cb -0.16 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3bim s VAL 38 CO 0.10 -0.74 0.00 -1.20 0.00 0.00 0.00 175.10 173.27 3bim n SER 39 N 3.62 0.00 -0.05 3.32 7.64 -1.26 -2.56 113.62 124.33 3bim n SER 39 Ca 0.04 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.74 3bim n SER 39 Cb 0.37 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.44 3bim n SER 39 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 3bim h ARG 40 N 0.00 0.08 -7.18 1.43 -0.00 -1.98 -3.48 114.38 103.26 3bim h ARG 40 Ca 0.00 -0.14 -0.54 0.00 -0.00 0.00 0.00 59.98 59.30 3bim h ARG 40 Cb 0.00 0.05 0.16 0.00 -0.00 0.00 0.00 29.97 30.19 3bim h ARG 40 CO 0.00 1.07 0.39 -1.21 -0.00 0.00 0.00 179.97 180.22 3bim s GLU 41 N -2.33 2.02 -0.02 0.08 2.02 -1.06 -5.02 118.70 114.39 3bim s GLU 41 Ca -0.21 1.79 0.02 0.00 0.02 0.00 0.00 54.97 56.59 3bim s GLU 41 Cb 0.01 -1.82 0.01 0.00 0.10 0.00 0.00 34.13 32.43 3bim s GLU 41 CO 0.70 -1.93 -0.06 -0.65 0.02 0.00 0.00 175.26 173.33 3bim s GLN 42 N -3.93 0.71 -0.08 1.61 -0.21 -1.26 -0.56 119.66 115.95 3bim s GLN 42 Ca 0.75 -0.18 0.01 0.00 0.02 0.00 0.00 55.36 55.95 3bim s GLN 42 Cb -0.30 -0.70 0.02 0.00 1.00 0.00 0.00 33.01 33.03 3bim s GLN 42 CO 0.46 0.04 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.53 3bim s PHE 43 N 0.37 1.29 0.23 0.91 0.40 0.33 -4.96 117.98 116.55 3bim s PHE 43 Ca -0.05 -0.54 -0.24 0.00 -0.60 0.00 0.00 56.93 55.51 3bim s PHE 43 Cb -0.09 -1.05 -0.09 0.00 0.51 0.00 0.00 43.02 42.31 3bim s PHE 43 CO 0.00 -0.36 0.81 1.03 0.70 0.00 0.00 175.22 177.40 3bim s ARG 44 N 1.23 4.48 0.37 0.44 1.81 -1.26 -0.73 118.95 125.29 3bim s ARG 44 Ca -0.05 1.13 -0.14 0.00 -1.72 0.00 0.00 55.73 54.95 3bim s ARG 44 Cb -0.14 -3.01 0.04 0.00 -0.45 0.00 0.00 34.95 31.39 3bim s ARG 44 CO -0.02 0.43 0.73 0.00 -0.68 0.00 0.00 175.30 175.76 3bim s ALA 45 N -1.40 -0.54 -0.28 2.13 0.00 -0.63 -4.96 121.76 116.07 3bim s ALA 45 Ca 0.42 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 51.43 3bim s ALA 45 Cb -0.20 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 3bim s ALA 45 CO 0.24 -0.96 0.23 -1.01 0.00 0.00 0.00 175.76 174.26 3bim s HIS 46 N -2.57 3.22 0.30 0.00 0.09 -1.26 -1.93 115.29 113.15 3bim s HIS 46 Ca 0.17 0.18 0.04 0.00 -0.00 0.00 0.00 55.06 55.45 3bim s HIS 46 Cb -0.04 -2.42 0.79 0.00 -0.00 0.00 0.00 32.58 30.90 3bim s HIS 46 CO 0.12 -0.17 1.63 0.87 -0.00 0.00 0.00 174.74 177.19 3bim h LYS 47 N 8.33 0.17 0.00 1.40 1.57 -1.92 0.10 116.57 126.23 3bim h LYS 47 Ca -0.34 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.32 3bim h LYS 47 Cb 1.18 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 3bim h LYS 47 CO 0.57 0.11 -0.53 1.79 -0.57 0.00 0.00 179.45 180.83 3bim h THR 48 N 0.18 1.29 -0.28 -0.16 1.35 -1.98 -0.40 112.91 112.90 3bim h THR 48 Ca 0.59 -1.86 -0.18 0.00 -0.55 0.00 0.00 66.41 64.42 3bim h THR 48 Cb 1.24 2.03 -0.00 0.00 -1.73 0.00 0.00 68.15 69.69 3bim h THR 48 CO -0.69 0.52 -0.52 0.58 -0.25 0.00 0.00 175.52 175.15 3bim h VAL 49 N 0.00 1.28 0.11 6.82 2.07 -1.25 -2.69 116.25 122.60 3bim h VAL 49 Ca -0.01 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.80 3bim h VAL 49 Cb 0.98 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 3bim h VAL 49 CO 0.07 0.56 -0.09 -0.07 0.02 0.00 0.00 177.57 178.05 3bim h LEU 50 N 0.63 -0.24 -2.59 2.57 3.38 -0.47 -2.57 115.31 116.02 3bim h LEU 50 Ca 0.02 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3bim h LEU 50 Cb 1.11 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3bim h LEU 50 CO 0.11 -0.15 -0.00 0.24 0.09 0.00 0.00 178.44 178.73 3bim h MET 51 N -0.22 0.00 0.00 1.13 2.86 -1.15 0.30 114.93 117.85 3bim h MET 51 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3bim h MET 51 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3bim h MET 51 CO -0.01 0.00 -0.77 0.00 1.06 0.00 0.00 176.91 177.18 3bim n ALA 52 N -2.10 3.11 -0.05 6.32 0.00 -1.00 -4.20 120.51 122.60 3bim n ALA 52 Ca -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.10 3bim n ALA 52 Cb 0.13 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 18.36 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 -4.42 0.67 0.32 0.00 0.15 -0.02 -4.83 113.70 105.58 3bim s SER 54 Ca -0.07 -0.05 0.12 0.00 0.70 0.00 0.00 55.95 56.65 3bim s SER 54 Cb 0.07 -0.29 0.54 0.00 -1.71 0.00 0.00 66.02 64.63 3bim s SER 54 CO 0.64 -0.10 1.71 1.23 1.20 0.00 0.00 173.24 177.92 3bim h GLY 55 N 7.35 0.00 0.94 9.45 0.00 -1.56 -0.63 103.07 118.63 3bim h GLY 55 Ca -0.39 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 3bim h GLY 55 CO 0.45 0.00 -0.39 -2.00 0.00 0.00 0.00 176.54 174.60 3bim h LEU 56 N 0.00 -0.92 -1.18 3.11 5.85 -1.82 -1.43 115.31 118.92 3bim h LEU 56 Ca -0.00 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.80 3bim h LEU 56 Cb 0.90 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 3bim h LEU 56 CO 0.06 -0.61 0.57 -0.26 -0.34 0.00 0.00 178.44 177.86 3bim h PHE 57 N -1.16 1.00 -0.41 1.25 0.05 -1.81 0.34 116.94 116.21 3bim h PHE 57 Ca -0.11 0.03 0.07 0.00 3.82 0.00 0.00 57.97 61.77 3bim h PHE 57 Cb 0.84 -0.33 -0.06 0.00 2.00 0.00 0.00 35.95 38.40 3bim h PHE 57 CO -0.01 0.53 0.05 -0.92 -0.18 0.00 0.00 178.31 177.78 3bim h TYR 58 N 0.99 0.07 -0.37 -0.55 3.20 -1.01 -0.81 116.97 118.49 3bim h TYR 58 Ca 0.38 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 62.13 3bim h TYR 58 Cb 0.20 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3bim h TYR 58 CO -0.00 -0.03 -0.32 0.77 -1.64 0.00 0.00 178.16 176.95 3bim h SER 59 N 0.17 0.92 0.19 -2.11 0.02 0.13 -1.93 113.55 110.95 3bim h SER 59 Ca 0.20 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 3bim h SER 59 Cb 0.26 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3bim h SER 59 CO -0.29 1.18 -0.10 0.40 -1.14 0.00 0.00 176.83 176.88 3bim h ILE 60 N 0.68 0.80 0.00 3.27 2.04 -0.97 -1.86 117.51 121.46 3bim h ILE 60 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3bim h ILE 60 Cb 0.90 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3bim h ILE 60 CO 0.08 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.72 3bim n PHE 61 N -5.21 0.00 0.39 1.37 0.99 -0.32 -2.00 117.46 112.68 3bim n PHE 61 Ca -0.09 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.48 3bim n PHE 61 Cb 0.13 -0.48 0.03 0.00 -1.00 0.00 0.00 39.48 38.16 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 -1.48 0.32 -2.32 4.37 -1.04 -0.74 -4.22 114.28 109.17 3bim n THR 62 Ca 0.07 -0.36 -0.43 0.00 -2.04 0.00 0.00 64.05 61.30 3bim n THR 62 Cb 0.30 -0.03 -0.02 0.00 -1.82 0.00 0.00 70.33 68.75 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 -4.44 6.87 0.00 8.00 -1.08 -0.70 -4.93 116.67 120.38 3bim s ASP 63 Ca 0.02 1.81 0.28 0.00 -0.52 0.00 0.00 52.55 54.15 3bim s ASP 63 Cb 0.13 -2.54 1.30 0.00 -1.46 0.00 0.00 42.92 40.35 3bim s ASP 63 CO 0.79 -0.81 1.94 0.00 0.52 0.00 0.00 175.17 177.61 3bim n GLN 64 N 6.75 0.16 0.08 4.34 0.00 -1.26 0.61 117.38 128.05 3bim n GLN 64 Ca 0.15 0.02 -0.08 0.00 0.00 0.00 0.00 57.00 57.08 3bim n GLN 64 Cb 0.44 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 29.11 3bim n GLN 64 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 3bim h LEU 65 N 0.00 0.12 0.00 2.61 3.38 -1.93 -3.36 115.31 116.13 3bim h LEU 65 Ca 0.00 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3bim h LEU 65 Cb 0.40 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3bim h LEU 65 CO 0.00 1.03 -1.44 0.29 0.09 0.00 0.00 178.44 178.40 3bim n LYS 66 N -3.47 0.63 -0.32 1.13 5.02 -0.42 -4.46 118.16 116.26 3bim n LYS 66 Ca -0.02 0.11 0.16 0.00 -2.02 0.00 0.00 58.31 56.54 3bim n LYS 66 Cb 0.90 -1.75 0.32 0.00 -0.02 0.00 0.00 35.03 34.48 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 0.06 -0.16 1.97 2.43 0.02 -1.00 114.38 117.70 3bim h ARG 67 Ca -0.12 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3bim h ARG 67 Cb 1.37 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3bim h ARG 67 CO 0.02 0.04 0.00 0.09 -1.51 0.00 0.00 179.97 178.62 3bim n ASN 68 N -5.38 2.67 -4.77 -3.80 3.02 -1.26 -4.90 115.26 100.84 3bim n ASN 68 Ca 0.24 -1.87 -0.41 0.00 -0.03 0.00 0.00 54.58 52.51 3bim n ASN 68 Cb 0.79 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.86 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 -1.77 4.35 0.00 3.41 2.01 -0.38 -4.94 118.68 121.36 3bim s LEU 69 Ca 0.34 2.91 0.12 0.00 0.01 0.00 0.00 54.13 57.50 3bim s LEU 69 Cb 0.21 -3.65 0.25 0.00 0.01 0.00 0.00 46.19 43.00 3bim s LEU 69 CO 0.31 -0.79 1.14 -1.54 1.01 0.00 0.00 176.35 176.48 3bim n SER 70 N 1.09 2.65 -4.04 2.29 3.41 -1.26 -4.87 113.62 112.88 3bim n SER 70 Ca 0.03 -1.83 -0.27 0.00 -0.26 0.00 0.00 58.87 56.54 3bim n SER 70 Cb 0.40 -0.16 -0.17 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.00 1.39 -0.13 -3.33 1.01 -1.26 -0.24 120.40 116.84 3bim s VAL 71 Ca 0.21 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3bim s VAL 71 Cb 0.12 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.24 3bim s VAL 71 CO 0.16 0.42 -0.18 -0.63 0.00 0.00 0.00 175.10 174.87 3bim s ILE 72 N 0.91 1.75 -0.54 2.22 -1.09 0.64 -4.96 121.20 120.13 3bim s ILE 72 Ca -0.09 -0.79 -0.20 0.00 -2.23 0.00 0.00 60.65 57.34 3bim s ILE 72 Cb -0.15 -1.58 0.07 0.00 -1.58 0.00 0.00 42.46 39.22 3bim s ILE 72 CO 0.00 0.49 0.69 0.20 -1.23 0.00 0.00 174.94 175.09 3bim s ASN 73 N 0.97 6.22 0.50 3.58 0.01 -1.26 -0.45 114.94 124.51 3bim s ASN 73 Ca -0.05 -1.00 -0.23 0.00 -0.71 0.00 0.00 52.86 50.87 3bim s ASN 73 Cb -0.15 -2.31 -0.06 0.00 0.41 0.00 0.00 41.25 39.14 3bim s ASN 73 CO -0.03 -1.01 1.33 -0.76 -1.51 0.00 0.00 177.10 175.12 3bim s LEU 74 N 2.84 3.95 -0.16 0.60 1.43 0.08 -4.94 118.68 122.48 3bim s LEU 74 Ca 0.16 2.70 -0.33 0.00 -1.03 0.00 0.00 54.13 55.62 3bim s LEU 74 Cb -0.20 -4.19 -0.15 0.00 0.03 0.00 0.00 46.19 41.68 3bim s LEU 74 CO 0.11 -1.34 1.00 -0.67 0.23 0.00 0.00 176.35 175.68 3bim n ASP 75 N -0.71 0.39 0.33 2.29 -0.08 -1.26 -4.63 116.55 112.87 3bim n ASP 75 Ca 0.08 0.91 0.20 0.00 -1.51 0.00 0.00 54.79 54.47 3bim n ASP 75 Cb 0.45 -0.70 1.08 0.00 2.34 0.00 0.00 41.12 44.29 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 2.97 0.00 0.00 -0.67 0.11 -1.96 0.12 132.00 132.57 3bim h PRO 76 Ca -0.37 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.66 3bim h PRO 76 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3bim h PRO 76 CO 0.61 0.00 -0.38 1.49 -0.21 0.00 0.00 178.00 179.51 3bim h GLU 77 N 0.00 0.00 -6.86 1.05 4.57 -2.02 -3.45 114.58 107.86 3bim h GLU 77 Ca 0.01 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 3bim h GLU 77 Cb 0.19 0.00 0.09 0.00 -0.16 0.00 0.00 28.75 28.87 3bim h GLU 77 CO -0.00 0.38 0.79 0.42 -1.18 0.00 0.00 179.01 179.42 3bim s ILE 78 N -4.07 2.24 -0.38 2.32 -1.09 0.42 -4.97 121.20 115.67 3bim s ILE 78 Ca -0.02 0.22 -0.23 0.00 -2.23 0.00 0.00 60.65 58.39 3bim s ILE 78 Cb 0.14 -3.14 0.01 0.00 -1.58 0.00 0.00 42.46 37.89 3bim s ILE 78 CO 0.71 0.04 0.76 0.21 -1.23 0.00 0.00 174.94 175.44 3bim s ASN 79 N 0.08 6.50 0.24 3.58 2.47 -1.26 -4.66 114.94 121.89 3bim s ASN 79 Ca 0.56 0.22 -0.14 0.00 0.42 0.00 0.00 52.86 53.93 3bim s ASN 79 Cb -0.45 -2.38 0.31 0.00 -1.45 0.00 0.00 41.25 37.28 3bim s ASN 79 CO 0.54 -0.75 1.56 -0.65 -3.72 0.00 0.00 177.10 174.08 3bim h PRO 80 N 8.58 -0.01 -0.70 0.43 0.11 -1.94 0.61 132.00 139.08 3bim h PRO 80 Ca -0.25 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.93 3bim h PRO 80 Cb 1.09 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3bim h PRO 80 CO 0.91 -0.01 0.46 1.49 -0.21 0.00 0.00 178.00 180.65 3bim h GLU 81 N -0.01 0.67 -0.25 1.05 4.81 -1.95 0.31 114.58 119.21 3bim h GLU 81 Ca 0.39 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.41 3bim h GLU 81 Cb 0.64 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3bim h GLU 81 CO -0.98 0.45 -0.48 0.78 -0.73 0.00 0.00 179.01 178.05 3bim h GLY 82 N 0.69 0.83 0.89 1.92 0.00 -1.23 -2.44 103.07 103.75 3bim h GLY 82 Ca 0.31 -0.98 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 3bim h GLY 82 CO -0.10 0.88 0.09 -2.75 0.00 0.00 0.00 176.54 174.66 3bim h PHE 83 N 0.50 0.35 -0.83 5.60 3.57 -0.51 -2.02 116.94 123.60 3bim h PHE 83 Ca 0.01 -0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.65 3bim h PHE 83 Cb 1.09 -0.10 -0.10 0.00 2.79 0.00 0.00 35.95 39.62 3bim h PHE 83 CO 0.08 0.39 0.37 -0.97 -2.23 0.00 0.00 178.31 175.95 3bim h ASN 84 N 0.21 0.38 0.05 0.41 -0.00 -0.44 0.15 115.58 116.35 3bim h ASN 84 Ca 0.08 0.12 -0.07 0.00 -0.00 0.00 0.00 56.30 56.42 3bim h ASN 84 Cb 0.19 0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.57 3bim h ASN 84 CO -0.01 0.12 -0.21 0.40 -0.00 0.00 0.00 177.43 177.73 3bim h ILE 85 N 0.50 1.23 0.02 2.57 2.04 -1.08 -2.06 117.51 120.72 3bim h ILE 85 Ca 0.47 -1.04 -0.21 0.00 1.00 0.00 0.00 64.86 65.08 3bim h ILE 85 Cb 0.75 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 3bim h ILE 85 CO -0.42 0.32 -1.01 -0.07 0.00 0.00 0.00 178.15 176.96 3bim h LEU 86 N 0.26 0.05 0.07 1.44 3.38 -0.40 -2.22 115.31 117.89 3bim h LEU 86 Ca 0.05 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3bim h LEU 86 Cb 0.52 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3bim h LEU 86 CO 0.03 1.03 -0.03 0.25 0.09 0.00 0.00 178.44 179.81 3bim h LEU 87 N 0.01 -0.07 -1.87 1.67 5.85 -0.47 -0.97 115.31 119.46 3bim h LEU 87 Ca -0.02 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.44 3bim h LEU 87 Cb 1.77 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 3bim h LEU 87 CO 0.14 0.26 0.18 0.44 -0.34 0.00 0.00 178.44 179.12 3bim h ASP 88 N -0.42 0.15 -0.03 1.25 3.45 -1.44 -0.40 116.42 118.99 3bim h ASP 88 Ca -0.01 -0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.27 3bim h ASP 88 Cb 0.36 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.10 3bim h ASP 88 CO 0.01 0.10 -0.61 0.15 -1.57 0.00 0.00 179.24 177.32 3bim h PHE 89 N 0.17 0.82 -0.38 4.55 3.57 -0.95 -1.83 116.94 122.89 3bim h PHE 89 Ca 0.11 -0.31 0.03 0.00 3.53 0.00 0.00 57.97 61.33 3bim h PHE 89 Cb 0.24 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3bim h PHE 89 CO -0.00 1.09 0.19 0.52 -2.23 0.00 0.00 178.31 177.88 3bim h MET 90 N 0.47 0.38 -0.00 1.11 2.86 0.28 0.29 114.93 120.32 3bim h MET 90 Ca -0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3bim h MET 90 Cb 1.19 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.77 3bim h MET 90 CO 0.12 0.25 -0.12 0.66 1.06 0.00 0.00 176.91 178.88 3bim n TYR 91 N -4.92 0.00 0.00 -0.22 4.02 -0.83 -4.43 117.16 110.78 3bim n TYR 91 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3bim n TYR 91 Cb 0.09 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 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 -0.89 0.00 -0.96 -0.72 -2.24 -0.70 -4.49 114.28 104.28 3bim n THR 92 Ca 0.14 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3bim n THR 92 Cb 0.28 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.19 -1.94 -4.10 3.42 7.64 0.07 -5.01 113.62 113.51 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 -0.80 -0.16 0.00 -1.01 0.00 0.00 64.21 62.24 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 -0.30 2.71 -0.41 1.43 0.52 -1.25 -5.06 118.95 116.60 3bim s ARG 94 Ca 0.00 -1.03 -0.17 0.00 -0.52 0.00 0.00 55.73 54.02 3bim s ARG 94 Cb 0.00 -2.70 0.02 0.00 0.52 0.00 0.00 34.95 32.79 3bim s ARG 94 CO 0.00 -0.35 0.42 -1.17 0.02 0.00 0.00 175.30 174.22 3bim s LEU 95 N 1.22 4.83 -0.60 2.53 2.96 -1.26 -3.80 118.68 124.56 3bim s LEU 95 Ca -0.00 -0.63 -0.19 0.00 -0.22 0.00 0.00 54.13 53.09 3bim s LEU 95 Cb -0.16 -2.36 0.11 0.00 0.50 0.00 0.00 46.19 44.28 3bim s LEU 95 CO -0.10 -0.54 0.70 0.20 -1.32 0.00 0.00 176.35 175.29 3bim s ASN 96 N 1.79 6.19 -0.23 3.68 -0.87 -1.26 -5.04 114.94 119.20 3bim s ASN 96 Ca 0.11 -1.49 -0.12 0.00 -1.57 0.00 0.00 52.86 49.80 3bim s ASN 96 Cb -0.17 -2.30 -0.05 0.00 -0.02 0.00 0.00 41.25 38.72 3bim s ASN 96 CO 0.13 -1.09 0.24 -0.76 -2.57 0.00 0.00 177.10 173.05 3bim s LEU 97 N 2.58 4.13 0.50 0.60 1.43 -1.26 -5.01 118.68 121.64 3bim s LEU 97 Ca 0.11 0.24 0.08 0.00 -1.03 0.00 0.00 54.13 53.53 3bim s LEU 97 Cb -0.24 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 43.78 3bim s LEU 97 CO 0.06 0.02 0.59 -0.13 0.23 0.00 0.00 176.35 177.11 3bim s ARG 98 N 1.16 2.47 0.13 1.70 0.52 -1.26 -5.02 118.95 118.64 3bim s ARG 98 Ca 0.11 -1.59 -0.02 0.00 -0.52 0.00 0.00 55.73 53.71 3bim s ARG 98 Cb -0.14 -2.53 -0.12 0.00 0.52 0.00 0.00 34.95 32.68 3bim s ARG 98 CO 0.06 -0.55 1.28 0.93 0.02 0.00 0.00 175.30 177.04 3bim h GLU 99 N 0.55 0.32 0.00 3.54 5.08 -2.01 -2.75 114.58 119.31 3bim h GLU 99 Ca -0.36 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.62 3bim h GLU 99 Cb 1.28 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3bim h GLU 99 CO 0.48 1.09 0.00 0.41 -1.00 0.00 0.00 179.01 179.99 3bim n GLY 100 N 1.07 -1.09 0.00 -3.84 0.00 -1.26 -3.61 105.19 96.46 3bim n GLY 100 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.38 0.02 -0.20 1.61 0.23 -1.24 -4.79 115.26 109.52 3bim n ASN 101 Ca 0.08 -0.51 0.26 0.00 -0.53 0.00 0.00 54.58 53.88 3bim n ASN 101 Cb 0.20 1.00 0.66 0.00 -2.08 0.00 0.00 39.78 39.56 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 0.59 0.07 1.53 6.09 -1.55 0.03 117.51 124.28 3bim h ILE 102 Ca 0.00 -0.04 -0.29 0.00 -1.37 0.00 0.00 64.86 63.16 3bim h ILE 102 Cb 0.01 0.45 -0.02 0.00 0.47 0.00 0.00 36.82 37.73 3bim h ILE 102 CO 0.00 0.02 -1.51 0.24 -3.07 0.00 0.00 178.15 173.84 3bim h MET 103 N 0.12 0.15 -0.74 2.19 2.86 -1.87 -2.41 114.93 115.24 3bim h MET 103 Ca 0.44 -0.26 0.06 0.00 -2.06 0.00 0.00 59.70 57.88 3bim h MET 103 Cb 1.54 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 33.24 3bim h MET 103 CO -0.06 0.97 0.43 0.00 1.06 0.00 0.00 176.91 179.31 3bim h ALA 104 N 0.66 1.01 0.09 6.32 0.00 -1.39 -2.21 119.26 123.75 3bim h ALA 104 Ca -0.22 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3bim h ALA 104 Cb 1.98 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3bim h ALA 104 CO 0.13 0.13 -0.04 0.28 0.00 0.00 0.00 179.25 179.76 3bim h VAL 105 N 0.79 1.15 -0.74 0.00 2.07 -1.10 -1.64 116.25 116.78 3bim h VAL 105 Ca 0.33 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3bim h VAL 105 Cb 0.19 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3bim h VAL 105 CO -0.18 0.24 0.44 -0.03 0.02 0.00 0.00 177.57 178.06 3bim h MET 106 N -0.58 1.01 -0.73 1.57 4.05 -1.43 0.28 114.93 119.10 3bim h MET 106 Ca -0.01 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.28 3bim h MET 106 Cb 0.48 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 31.04 3bim h MET 106 CO 0.02 0.72 0.33 0.00 0.23 0.00 0.00 176.91 178.21 3bim h ALA 107 N 1.23 0.95 -0.54 0.39 0.00 -1.41 -1.58 119.26 118.30 3bim h ALA 107 Ca 0.27 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3bim h ALA 107 Cb -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3bim h ALA 107 CO -0.05 0.53 0.01 1.15 0.00 0.00 0.00 179.25 180.89 3bim h THR 108 N 1.03 1.26 -0.14 0.00 2.02 -0.29 -1.66 112.91 115.13 3bim h THR 108 Ca 0.25 -1.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 3bim h THR 108 Cb 0.15 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3bim h THR 108 CO -0.03 0.39 -0.09 0.00 0.37 0.00 0.00 175.52 176.17 3bim h ALA 109 N 0.96 1.59 -0.02 6.16 0.00 -0.27 0.67 119.26 128.34 3bim h ALA 109 Ca 0.15 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 3bim h ALA 109 Cb 0.52 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.25 3bim h ALA 109 CO 0.03 0.30 -0.83 1.98 0.00 0.00 0.00 179.25 180.72 3bim h MET 110 N 0.21 0.60 -0.67 0.00 -1.53 -1.15 0.72 114.93 113.12 3bim h MET 110 Ca 0.05 -0.62 0.02 0.00 -3.44 0.00 0.00 59.70 55.71 3bim h MET 110 Cb 0.29 0.17 -0.04 0.00 -0.55 0.00 0.00 31.60 31.47 3bim h MET 110 CO 0.01 1.23 0.42 -0.92 0.14 0.00 0.00 176.91 177.80 3bim h TYR 111 N 0.22 0.80 0.00 1.39 3.20 -0.83 -2.60 116.97 119.14 3bim h TYR 111 Ca -0.10 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3bim h TYR 111 Cb 1.50 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.51 3bim h TYR 111 CO 0.12 0.47 0.00 1.28 -1.64 0.00 0.00 178.16 178.39 3bim n LEU 112 N -4.67 0.02 -2.04 2.82 4.77 0.19 -4.74 117.00 113.35 3bim n LEU 112 Ca 0.06 0.50 -0.06 0.00 -0.03 0.00 0.00 56.01 56.48 3bim n LEU 112 Cb 0.06 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.69 3bim n LEU 112 CO 0.34 -0.06 0.03 0.00 -1.33 0.00 0.00 177.39 176.37 3bim n GLN 113 N -1.52 -1.76 -3.53 3.23 6.02 -0.52 -2.40 117.38 116.90 3bim n GLN 113 Ca 0.06 0.33 -0.27 0.00 -0.01 0.00 0.00 57.00 57.11 3bim n GLN 113 Cb 0.31 -3.50 -0.10 0.00 1.02 0.00 0.00 30.24 27.97 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 -2.18 1.41 -0.03 -1.09 2.81 0.13 -3.72 117.12 114.45 3bim n MET 114 Ca -0.07 -3.99 -0.04 0.00 -1.81 0.00 0.00 57.70 51.79 3bim n MET 114 Cb 0.56 -1.94 0.18 0.00 -0.71 0.00 0.00 33.22 31.31 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 4.88 0.60 -0.08 0.03 4.39 -1.95 -1.99 114.58 120.48 3bim h GLU 115 Ca 0.18 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 3bim h GLU 115 Cb 0.79 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3bim h GLU 115 CO 0.62 0.74 -0.25 1.12 -1.16 0.00 0.00 179.01 180.08 3bim h HIS 116 N 0.55 0.14 -0.35 4.33 2.07 -1.96 0.31 115.15 120.24 3bim h HIS 116 Ca 0.09 -0.02 -0.15 0.00 -2.85 0.00 0.00 60.37 57.43 3bim h HIS 116 Cb 0.59 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 30.53 3bim h HIS 116 CO 0.02 0.38 -0.39 0.28 -3.07 0.00 0.00 177.93 175.15 3bim h VAL 117 N 0.12 1.28 0.64 6.12 2.07 -1.77 -1.54 116.25 123.17 3bim h VAL 117 Ca 0.02 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 65.94 3bim h VAL 117 Cb 0.52 1.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3bim h VAL 117 CO 0.04 0.52 -0.31 0.58 0.02 0.00 0.00 177.57 178.42 3bim h VAL 118 N 0.69 0.36 -0.98 2.57 2.07 -0.88 -0.37 116.25 119.70 3bim h VAL 118 Ca 0.06 -0.06 0.22 0.00 0.82 0.00 0.00 66.70 67.73 3bim h VAL 118 Cb 0.97 0.38 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 3bim h VAL 118 CO 0.09 0.01 0.62 0.44 0.02 0.00 0.00 177.57 178.75 3bim h ASP 119 N -0.90 0.58 -0.32 0.57 5.19 -0.44 0.26 116.42 121.37 3bim h ASP 119 Ca -0.09 0.08 -0.15 0.00 -0.62 0.00 0.00 57.03 56.25 3bim h ASP 119 Cb 0.67 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 3bim h ASP 119 CO 0.14 0.19 -0.37 0.74 -3.12 0.00 0.00 179.24 176.82 3bim h THR 120 N 0.55 1.28 -0.55 0.35 2.02 -1.03 -1.72 112.91 113.81 3bim h THR 120 Ca 0.55 -1.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.13 3bim h THR 120 Cb 1.15 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 3bim h THR 120 CO -0.30 0.51 0.13 0.00 0.37 0.00 0.00 175.52 176.24 3bim h ARG 122 N 0.79 -0.55 -1.78 0.00 2.43 -0.80 -2.32 114.38 112.14 3bim h ARG 122 Ca 0.17 0.04 0.54 0.00 -0.81 0.00 0.00 59.98 59.92 3bim h ARG 122 Cb 0.35 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 29.93 3bim h ARG 122 CO 0.00 -0.36 1.26 0.87 -1.51 0.00 0.00 179.97 180.22 3bim h LYS 123 N -0.60 0.01 -0.23 0.20 1.57 -1.28 0.33 116.57 116.58 3bim h LYS 123 Ca -0.06 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 3bim h LYS 123 Cb 0.44 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3bim h LYS 123 CO 0.10 0.00 -0.23 0.35 -0.57 0.00 0.00 179.45 179.10 3bim h PHE 124 N 0.01 0.66 0.00 -1.35 3.57 -0.57 -3.17 116.94 116.09 3bim h PHE 124 Ca 0.91 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 62.21 3bim h PHE 124 Cb 3.45 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 42.05 3bim h PHE 124 CO -0.00 0.89 0.00 -0.89 -2.23 0.00 0.00 178.31 176.08 3bim n ILE 125 N -4.39 0.65 0.00 1.41 5.41 0.12 -3.67 119.36 118.90 3bim n ILE 125 Ca -0.05 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.64 3bim n ILE 125 Cb 0.42 -0.88 0.00 0.00 -0.71 0.00 0.00 39.64 38.48 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 0.94 0.00 -1.78 0.38 4.76 -1.20 -4.37 118.16 116.89 3bim n LYS 126 Ca 0.00 0.48 -0.21 0.00 -2.87 0.00 0.00 58.31 55.71 3bim n LYS 126 Cb 0.27 -1.21 -0.06 0.00 -1.84 0.00 0.00 35.03 32.19 3bim n LYS 126 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bim s ALA 127 N -3.00 1.18 0.00 7.82 0.00 -1.24 -5.20 121.76 121.32 3bim s ALA 127 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3bim s ALA 127 Cb 0.00 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.57 3bim s ALA 127 CO 0.00 -5.34 0.50 -1.13 0.00 0.00 0.00 175.76 169.79