#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 0.33 -0.13 1.67 0.15 -1.26 -5.17 113.70 109.29 3bim s SER 7 Ca 0.00 -0.89 -0.05 0.00 0.70 0.00 0.00 55.95 55.72 3bim s SER 7 Cb 0.00 0.27 0.06 0.00 -1.71 0.00 0.00 66.02 64.64 3bim s SER 7 CO 0.00 -0.67 0.26 -1.58 1.20 0.00 0.00 173.24 172.45 3bim s GLN 8 N -3.91 0.14 -0.08 5.44 -0.44 -1.26 -5.14 119.66 114.41 3bim s GLN 8 Ca 0.08 0.74 0.00 0.00 -2.50 0.00 0.00 55.36 53.68 3bim s GLN 8 Cb 0.07 -0.06 -0.03 0.00 -1.64 0.00 0.00 33.01 31.35 3bim s GLN 8 CO -0.09 -0.29 -0.07 0.42 0.50 0.00 0.00 175.29 175.75 3bim s ILE 9 N 2.42 3.63 -0.17 -2.34 1.01 -1.26 -5.08 121.20 119.40 3bim s ILE 9 Ca 0.01 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.17 3bim s ILE 9 Cb -0.12 -2.50 0.03 0.00 0.01 0.00 0.00 42.46 39.89 3bim s ILE 9 CO -0.08 0.58 -0.12 -1.58 0.00 0.00 0.00 174.94 173.73 3bim s GLN 10 N -0.57 2.15 -0.40 2.79 0.74 -1.26 -5.08 119.66 118.03 3bim s GLN 10 Ca 0.09 -0.69 -0.19 0.00 0.05 0.00 0.00 55.36 54.62 3bim s GLN 10 Cb -0.12 -2.25 0.01 0.00 1.10 0.00 0.00 33.01 31.76 3bim s GLN 10 CO 0.02 -0.33 0.54 -0.06 -0.55 0.00 0.00 175.29 174.90 3bim s PHE 11 N 1.45 3.14 -0.29 1.67 0.40 -1.26 -4.94 117.98 118.14 3bim s PHE 11 Ca 0.02 -0.05 0.27 0.00 -0.60 0.00 0.00 56.93 56.57 3bim s PHE 11 Cb -0.14 -3.06 0.74 0.00 0.51 0.00 0.00 43.02 41.07 3bim s PHE 11 CO -0.09 -0.69 1.75 1.79 0.70 0.00 0.00 175.22 178.67 3bim h THR 12 N 5.73 0.00 -0.27 0.64 1.35 -2.06 -3.09 112.91 115.21 3bim h THR 12 Ca -0.27 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 3bim h THR 12 Cb 1.11 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 3bim h THR 12 CO 0.82 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.63 3bim n ARG 13 N -2.99 2.42 -0.17 4.72 1.74 -1.26 -4.57 116.66 116.54 3bim n ARG 13 Ca 0.03 -2.12 -0.09 0.00 -0.77 0.00 0.00 57.85 54.90 3bim n ARG 13 Cb 0.44 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.39 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 4.44 0.89 -0.33 -1.55 2.76 -1.97 -0.11 115.15 119.29 3bim h HIS 14 Ca 0.00 -0.13 -0.11 0.00 -2.20 0.00 0.00 60.37 57.93 3bim h HIS 14 Cb 0.97 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 3bim h HIS 14 CO 0.16 0.82 -0.23 0.00 -1.30 0.00 0.00 177.93 177.38 3bim h ALA 15 N 0.96 0.47 -0.46 5.26 0.00 -1.81 0.51 119.26 124.18 3bim h ALA 15 Ca 0.15 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3bim h ALA 15 Cb 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3bim h ALA 15 CO 0.01 0.44 0.31 1.03 0.00 0.00 0.00 179.25 181.04 3bim h SER 16 N 0.50 0.53 -0.50 0.00 0.87 -1.82 -0.89 113.55 112.23 3bim h SER 16 Ca 0.06 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3bim h SER 16 Cb 0.79 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 3bim h SER 16 CO 0.06 0.38 0.30 0.44 -0.53 0.00 0.00 176.83 177.49 3bim h ASP 17 N 0.63 0.49 -0.90 6.23 3.32 -0.70 0.04 116.42 125.52 3bim h ASP 17 Ca 0.17 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3bim h ASP 17 Cb -0.07 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 3bim h ASP 17 CO -0.04 0.35 0.54 0.58 -1.72 0.00 0.00 179.24 178.95 3bim h VAL 18 N 0.61 1.25 -0.09 -1.35 2.07 -0.65 -2.18 116.25 115.90 3bim h VAL 18 Ca 0.20 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3bim h VAL 18 Cb 0.01 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 3bim h VAL 18 CO -0.08 0.26 -0.21 0.25 0.02 0.00 0.00 177.57 177.81 3bim h LEU 19 N 1.24 0.34 -0.67 2.57 5.85 -0.67 0.18 115.31 124.15 3bim h LEU 19 Ca 0.32 -0.57 0.14 0.00 0.84 0.00 0.00 57.88 58.61 3bim h LEU 19 Cb -0.05 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 40.78 3bim h LEU 19 CO -0.06 0.85 0.10 0.25 -0.34 0.00 0.00 178.44 179.25 3bim h LEU 20 N -0.15 -0.10 -0.90 2.25 5.85 -0.97 0.17 115.31 121.46 3bim h LEU 20 Ca 0.00 0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 3bim h LEU 20 Cb 0.80 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3bim h LEU 20 CO 0.05 -0.06 -0.50 0.78 -0.34 0.00 0.00 178.44 178.37 3bim h ASN 21 N 0.21 0.14 -0.55 1.25 2.35 -1.23 0.24 115.58 117.99 3bim h ASN 21 Ca 0.36 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.97 3bim h ASN 21 Cb 0.60 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 3bim h ASN 21 CO -0.50 0.62 0.07 -0.07 -1.65 0.00 0.00 177.43 175.89 3bim h LEU 22 N 0.10 0.93 -0.24 1.61 3.38 -0.07 0.21 115.31 121.22 3bim h LEU 22 Ca 0.00 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3bim h LEU 22 Cb 0.92 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3bim h LEU 22 CO 0.07 0.95 -0.14 -1.13 0.09 0.00 0.00 178.44 178.28 3bim h ASN 23 N 0.90 0.53 -0.94 -0.43 -0.00 -0.12 -1.94 115.58 113.58 3bim h ASN 23 Ca 0.18 -0.43 0.16 0.00 -0.00 0.00 0.00 56.30 56.21 3bim h ASN 23 Cb 0.44 -0.15 -0.10 0.00 -0.00 0.00 0.00 38.32 38.51 3bim h ASN 23 CO 0.01 0.84 0.55 0.03 -0.00 0.00 0.00 177.43 178.86 3bim h ARG 24 N 0.22 0.73 -0.61 6.67 2.47 -0.29 -1.16 114.38 122.42 3bim h ARG 24 Ca 0.05 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 3bim h ARG 24 Cb 0.65 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.78 3bim h ARG 24 CO 0.04 0.48 0.31 -0.07 0.56 0.00 0.00 179.97 181.30 3bim h LEU 25 N 0.75 0.78 -1.03 3.04 3.38 -0.35 -2.83 115.31 119.06 3bim h LEU 25 Ca 0.52 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 3bim h LEU 25 Cb 0.73 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3bim h LEU 25 CO -0.35 0.68 0.13 -0.09 0.09 0.00 0.00 178.44 178.89 3bim h ARG 26 N 0.84 0.83 0.00 1.13 2.43 -0.46 -0.30 114.38 118.85 3bim h ARG 26 Ca 0.21 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3bim h ARG 26 Cb 0.08 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3bim h ARG 26 CO -0.03 0.75 0.00 0.66 -1.51 0.00 0.00 179.97 179.84 3bim h SER 27 N 0.80 0.00 -0.07 -3.80 4.64 -1.07 -1.82 113.55 112.24 3bim h SER 27 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3bim h SER 27 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3bim h SER 27 CO -0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3bim n ARG 28 N -2.34 2.04 -2.20 4.77 1.74 -1.02 -4.99 116.66 114.65 3bim n ARG 28 Ca 0.05 -1.83 -0.13 0.00 -0.77 0.00 0.00 57.85 55.17 3bim n ARG 28 Cb 0.42 -1.42 -0.01 0.00 -1.02 0.00 0.00 32.46 30.43 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 1.23 -3.98 -4.65 0.55 4.64 -0.34 -4.99 116.55 109.01 3bim n ASP 29 Ca 0.13 0.00 -0.43 0.00 -1.38 0.00 0.00 54.79 53.12 3bim n ASP 29 Cb 0.54 -3.16 -0.02 0.00 -1.04 0.00 0.00 41.12 37.44 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 -2.62 4.51 -1.10 5.18 1.01 -0.27 -4.10 121.20 123.81 3bim s ILE 30 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.42 3bim s ILE 30 Cb 0.00 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.14 3bim s ILE 30 CO 0.00 -0.36 0.00 0.18 0.00 0.00 0.00 174.94 174.76 3bim n LEU 31 N 6.76 -0.55 -4.75 2.97 4.77 -1.26 -4.61 117.00 120.32 3bim n LEU 31 Ca 0.12 0.26 -0.41 0.00 -0.03 0.00 0.00 56.01 55.95 3bim n LEU 31 Cb 0.47 -2.07 -0.02 0.00 -2.33 0.00 0.00 43.42 39.47 3bim n LEU 31 CO 0.57 -0.74 1.22 0.42 -1.33 0.00 0.00 177.39 177.53 3bim s THR 32 N -2.19 2.17 0.00 -5.08 -4.23 -1.26 -4.86 115.64 100.20 3bim s THR 32 Ca 0.00 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 3bim s THR 32 Cb 0.00 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.75 3bim s THR 32 CO 0.00 0.02 0.54 -0.90 -0.54 0.00 0.00 174.62 173.75 3bim n ASP 33 N 2.16 0.99 -3.83 3.99 3.85 -0.95 -4.97 116.55 117.79 3bim n ASP 33 Ca 0.08 -1.26 -0.12 0.00 -0.71 0.00 0.00 54.79 52.78 3bim n ASP 33 Cb 0.38 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 40.04 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 -0.26 0.04 -0.22 2.12 0.11 -1.08 -4.73 120.40 116.38 3bim s VAL 34 Ca 0.00 -0.30 -0.09 0.00 -2.93 0.00 0.00 61.98 58.66 3bim s VAL 34 Cb 0.00 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 3bim s VAL 34 CO 0.00 -0.17 0.11 -0.69 -3.33 0.00 0.00 175.10 171.02 3bim s VAL 35 N -0.58 4.94 -0.30 2.04 1.01 0.02 -1.50 120.40 126.03 3bim s VAL 35 Ca -0.07 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 3bim s VAL 35 Cb -0.04 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3bim s VAL 35 CO 0.01 0.38 0.29 -0.63 0.00 0.00 0.00 175.10 175.15 3bim s ILE 36 N 0.97 5.23 -0.30 2.22 -1.09 0.36 -0.71 121.20 127.88 3bim s ILE 36 Ca 0.06 0.22 -0.12 0.00 -2.23 0.00 0.00 60.65 58.58 3bim s ILE 36 Cb -0.14 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 3bim s ILE 36 CO 0.03 0.11 0.21 -0.69 -1.23 0.00 0.00 174.94 173.37 3bim s VAL 37 N 1.91 5.28 -0.27 2.92 1.01 0.14 -0.96 120.40 130.43 3bim s VAL 37 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3bim s VAL 37 Cb -0.16 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.71 3bim s VAL 37 CO 0.11 0.16 0.01 -0.69 0.00 0.00 0.00 175.10 174.69 3bim s VAL 38 N 1.74 1.37 0.00 2.92 1.01 -0.42 -0.25 120.40 126.77 3bim s VAL 38 Ca 0.07 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.67 3bim s VAL 38 Cb -0.16 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3bim s VAL 38 CO 0.11 -0.34 0.00 -1.20 0.00 0.00 0.00 175.10 173.67 3bim n SER 39 N 4.69 0.00 -0.58 3.32 7.64 -1.26 -1.49 113.62 125.94 3bim n SER 39 Ca -0.07 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.87 3bim n SER 39 Cb 0.44 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.75 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 5.74 2.05 -3.44 1.43 1.74 -1.26 -5.00 116.66 117.92 3bim n ARG 40 Ca 0.00 -1.74 -0.34 0.00 -0.77 0.00 0.00 57.85 55.00 3bim n ARG 40 Cb 0.00 -1.25 -0.05 0.00 -1.02 0.00 0.00 32.46 30.13 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 -0.98 3.85 -0.10 5.56 2.02 -0.56 -5.09 118.70 123.41 3bim s GLU 41 Ca 0.20 0.32 0.04 0.00 0.02 0.00 0.00 54.97 55.54 3bim s GLU 41 Cb 0.11 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.52 3bim s GLU 41 CO 0.15 0.42 -0.22 -0.65 0.02 0.00 0.00 175.26 174.99 3bim s GLN 42 N -2.34 2.85 -0.12 1.61 -0.21 -1.26 -1.30 119.66 118.88 3bim s GLN 42 Ca 0.41 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 55.00 3bim s GLN 42 Cb -0.13 -2.18 0.01 0.00 1.00 0.00 0.00 33.01 31.71 3bim s GLN 42 CO 0.20 0.14 -0.18 -0.06 -2.12 0.00 0.00 175.29 173.27 3bim s PHE 43 N 0.43 2.26 -0.06 0.91 0.40 -0.14 -4.97 117.98 116.81 3bim s PHE 43 Ca -0.17 -1.10 -0.11 0.00 -0.60 0.00 0.00 56.93 54.95 3bim s PHE 43 Cb -0.17 -1.58 -0.05 0.00 0.51 0.00 0.00 43.02 41.72 3bim s PHE 43 CO 0.07 -0.53 0.28 1.03 0.70 0.00 0.00 175.22 176.77 3bim s ARG 44 N 0.92 3.70 0.37 0.44 0.52 -1.26 0.13 118.95 123.77 3bim s ARG 44 Ca -0.07 0.15 -0.14 0.00 -0.52 0.00 0.00 55.73 55.15 3bim s ARG 44 Cb -0.15 -3.21 0.04 0.00 0.52 0.00 0.00 34.95 32.15 3bim s ARG 44 CO -0.02 0.72 0.74 0.00 0.02 0.00 0.00 175.30 176.76 3bim s ALA 45 N -1.02 -0.56 -0.27 2.13 0.00 -0.56 -4.98 121.76 116.50 3bim s ALA 45 Ca 0.19 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 51.19 3bim s ALA 45 Cb -0.14 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3bim s ALA 45 CO 0.09 -0.96 0.32 -1.01 0.00 0.00 0.00 175.76 174.20 3bim s HIS 46 N -2.57 3.25 0.27 0.00 3.76 -1.26 -2.23 115.29 116.51 3bim s HIS 46 Ca 0.17 0.35 0.01 0.00 -0.15 0.00 0.00 55.06 55.44 3bim s HIS 46 Cb -0.04 -2.51 0.62 0.00 1.11 0.00 0.00 32.58 31.75 3bim s HIS 46 CO 0.12 -0.19 1.71 0.87 -0.85 0.00 0.00 174.74 176.40 3bim h LYS 47 N 8.15 0.40 -0.58 1.40 1.57 -1.92 0.21 116.57 125.80 3bim h LYS 47 Ca -0.33 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.46 3bim h LYS 47 Cb 1.17 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 3bim h LYS 47 CO 0.63 0.27 0.39 1.79 -0.57 0.00 0.00 179.45 181.95 3bim h THR 48 N 0.41 1.06 -0.15 -0.16 1.35 -1.98 0.49 112.91 113.94 3bim h THR 48 Ca 0.50 -0.23 -0.20 0.00 -0.55 0.00 0.00 66.41 65.94 3bim h THR 48 Cb 0.89 0.34 0.01 0.00 -1.73 0.00 0.00 68.15 67.66 3bim h THR 48 CO -0.49 0.12 -0.68 0.58 -0.25 0.00 0.00 175.52 174.80 3bim h VAL 49 N 0.67 1.30 0.13 6.82 2.07 -1.39 -2.47 116.25 123.38 3bim h VAL 49 Ca 0.24 -1.91 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 3bim h VAL 49 Cb 0.11 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3bim h VAL 49 CO -0.06 0.60 -0.06 -0.07 0.02 0.00 0.00 177.57 177.99 3bim h LEU 50 N 0.44 -0.15 -2.76 2.57 3.38 -0.92 -1.80 115.31 116.07 3bim h LEU 50 Ca -0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3bim h LEU 50 Cb 1.32 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3bim h LEU 50 CO 0.14 -0.04 0.06 0.24 0.09 0.00 0.00 178.44 178.94 3bim h MET 51 N -0.25 0.00 0.00 1.13 2.86 -0.96 -0.59 114.93 117.12 3bim h MET 51 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 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 0.03 0.00 -0.92 0.00 1.06 0.00 0.00 176.91 177.08 3bim n ALA 52 N -2.03 3.31 -0.06 6.32 0.00 -0.72 -4.26 120.51 123.07 3bim n ALA 52 Ca -0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 53.44 53.00 3bim n ALA 52 Cb 0.13 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 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 -4.56 1.65 0.28 0.00 0.15 -0.36 -4.84 113.70 106.03 3bim s SER 54 Ca -0.07 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.40 3bim s SER 54 Cb 0.06 -0.52 0.40 0.00 -1.71 0.00 0.00 66.02 64.25 3bim s SER 54 CO 0.60 0.09 1.65 1.23 1.20 0.00 0.00 173.24 178.01 3bim h GLY 55 N 6.46 0.13 0.73 9.45 0.00 -1.75 -1.49 103.07 116.60 3bim h GLY 55 Ca -0.33 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3bim h GLY 55 CO 0.48 0.13 -0.00 -2.00 0.00 0.00 0.00 176.54 175.15 3bim h LEU 56 N 0.09 -0.00 -1.07 3.11 5.85 -1.83 -2.18 115.31 119.29 3bim h LEU 56 Ca -0.00 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3bim h LEU 56 Cb 0.97 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 3bim h LEU 56 CO 0.08 0.27 0.17 -0.26 -0.34 0.00 0.00 178.44 178.35 3bim h PHE 57 N -0.27 0.85 -0.17 1.25 0.05 -1.80 -1.23 116.94 115.62 3bim h PHE 57 Ca -0.00 -0.07 0.05 0.00 3.82 0.00 0.00 57.97 61.78 3bim h PHE 57 Cb 0.27 -0.25 -0.06 0.00 2.00 0.00 0.00 35.95 37.91 3bim h PHE 57 CO 0.02 0.69 -0.25 -0.92 -0.18 0.00 0.00 178.31 177.67 3bim h TYR 58 N 0.81 -0.68 -0.63 -0.55 3.20 -1.13 -0.84 116.97 117.15 3bim h TYR 58 Ca 0.18 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 3bim h TYR 58 Cb 0.24 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 3bim h TYR 58 CO 0.01 -0.33 0.22 0.77 -1.64 0.00 0.00 178.16 177.20 3bim h SER 59 N -0.30 0.86 -0.07 -2.11 0.02 -0.91 -0.51 113.55 110.54 3bim h SER 59 Ca 0.11 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3bim h SER 59 Cb 0.47 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3bim h SER 59 CO -0.34 0.79 0.03 0.40 -1.14 0.00 0.00 176.83 176.57 3bim h ILE 60 N 0.91 1.13 0.00 3.27 2.04 -0.92 -2.45 117.51 121.51 3bim h ILE 60 Ca 0.21 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3bim h ILE 60 Cb 0.22 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3bim h ILE 60 CO -0.01 0.11 0.00 -0.26 0.00 0.00 0.00 178.15 177.99 3bim h PHE 61 N -0.05 0.00 0.00 1.37 0.05 -0.75 -3.01 116.94 114.55 3bim h PHE 61 Ca 0.02 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.81 3bim h PHE 61 Cb 0.16 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.11 3bim h PHE 61 CO -0.02 0.00 -0.39 1.15 -0.18 0.00 0.00 178.31 178.87 3bim h THR 62 N 0.00 0.00 -3.27 -1.55 2.02 -1.07 -3.38 112.91 105.65 3bim h THR 62 Ca 0.00 -0.54 -0.57 0.00 0.77 0.00 0.00 66.41 66.07 3bim h THR 62 Cb 0.84 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 68.49 3bim h THR 62 CO 0.00 0.00 0.49 -0.62 0.37 0.00 0.00 175.52 175.76 3bim s ASP 63 N -4.51 7.11 0.61 4.18 2.15 -0.93 -4.91 116.67 120.37 3bim s ASP 63 Ca 0.07 1.36 0.41 0.00 0.43 0.00 0.00 52.55 54.83 3bim s ASP 63 Cb 0.12 -2.51 2.20 0.00 -0.30 0.00 0.00 42.92 42.44 3bim s ASP 63 CO 0.68 -0.43 2.25 0.06 -0.17 0.00 0.00 175.17 177.56 3bim h GLN 64 N 7.20 0.00 0.09 4.34 -0.00 -1.90 0.49 115.11 125.32 3bim h GLN 64 Ca -0.30 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.10 3bim h GLN 64 Cb 1.14 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.62 3bim h GLN 64 CO 0.85 0.00 -1.14 -0.07 -0.00 0.00 0.00 178.83 178.47 3bim h LEU 65 N 0.00 0.38 -1.80 0.06 -0.00 -1.94 -3.40 115.31 108.61 3bim h LEU 65 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 3bim h LEU 65 Cb 0.03 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.57 3bim h LEU 65 CO 0.00 1.27 0.00 0.29 -0.00 0.00 0.00 178.44 180.00 3bim n LYS 66 N -3.56 1.03 -0.09 1.13 5.02 0.16 -4.77 118.16 117.08 3bim n LYS 66 Ca -0.07 -1.31 -0.10 0.00 -2.02 0.00 0.00 58.31 54.81 3bim n LYS 66 Cb 0.97 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 34.76 3bim n LYS 66 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 3bim h ARG 67 N 1.77 0.44 -0.26 1.97 0.11 -1.27 -3.12 114.38 114.02 3bim h ARG 67 Ca 0.00 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3bim h ARG 67 Cb 0.47 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.48 3bim h ARG 67 CO 0.00 0.48 0.00 0.09 0.10 0.00 0.00 179.97 180.64 3bim n ASN 68 N -4.73 1.56 -4.77 0.08 3.02 -1.26 -4.89 115.26 104.27 3bim n ASN 68 Ca -0.02 -1.90 -0.39 0.00 -0.03 0.00 0.00 54.58 52.24 3bim n ASN 68 Cb 0.15 -0.17 -0.04 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.17 4.36 0.00 3.41 1.02 -1.18 -4.95 118.68 120.17 3bim s LEU 69 Ca 0.24 2.20 0.06 0.00 0.02 0.00 0.00 54.13 56.65 3bim s LEU 69 Cb 0.12 -3.88 -0.00 0.00 0.02 0.00 0.00 46.19 42.45 3bim s LEU 69 CO 0.17 -0.34 0.49 -1.54 0.02 0.00 0.00 176.35 175.15 3bim n SER 70 N 0.59 0.93 -4.15 2.29 3.41 -1.26 -4.92 113.62 110.51 3bim n SER 70 Ca 0.02 -0.97 -0.30 0.00 -0.26 0.00 0.00 58.87 57.36 3bim n SER 70 Cb 0.47 0.49 -0.17 0.00 -0.26 0.00 0.00 64.21 64.74 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 -1.05 1.78 -0.20 -3.33 1.01 -1.26 -0.80 120.40 116.56 3bim s VAL 71 Ca 0.05 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3bim s VAL 71 Cb 0.05 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.89 3bim s VAL 71 CO 0.16 0.50 -0.18 -0.63 0.00 0.00 0.00 175.10 174.95 3bim s ILE 72 N 0.54 2.14 -0.36 2.22 -1.09 0.11 -4.98 121.20 119.78 3bim s ILE 72 Ca -0.15 -1.05 -0.22 0.00 -2.23 0.00 0.00 60.65 57.00 3bim s ILE 72 Cb -0.17 -1.97 0.01 0.00 -1.58 0.00 0.00 42.46 38.75 3bim s ILE 72 CO 0.05 0.43 0.70 0.20 -1.23 0.00 0.00 174.94 175.09 3bim s ASN 73 N 1.26 6.48 0.37 3.58 0.01 -1.26 0.24 114.94 125.62 3bim s ASN 73 Ca 0.02 0.23 -0.25 0.00 -0.71 0.00 0.00 52.86 52.16 3bim s ASN 73 Cb -0.14 -2.36 -0.09 0.00 0.41 0.00 0.00 41.25 39.07 3bim s ASN 73 CO -0.11 -0.66 1.05 -0.76 -1.51 0.00 0.00 177.10 175.11 3bim s LEU 74 N 2.88 4.23 -0.11 0.60 1.43 0.65 -4.96 118.68 123.40 3bim s LEU 74 Ca 0.27 2.06 -0.25 0.00 -1.03 0.00 0.00 54.13 55.19 3bim s LEU 74 Cb -0.14 -4.07 -0.12 0.00 0.03 0.00 0.00 46.19 41.89 3bim s LEU 74 CO 0.16 -0.40 0.73 -0.67 0.23 0.00 0.00 176.35 176.40 3bim n ASP 75 N 0.20 0.26 0.23 2.29 -0.08 -1.26 -4.71 116.55 113.47 3bim n ASP 75 Ca 0.04 0.67 0.16 0.00 -1.51 0.00 0.00 54.79 54.15 3bim n ASP 75 Cb 0.49 -0.52 0.81 0.00 2.34 0.00 0.00 41.12 44.23 3bim n ASP 75 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3bim h PRO 76 N 2.16 0.00 0.00 -0.67 0.13 -1.95 -1.48 132.00 130.19 3bim h PRO 76 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 3bim h PRO 76 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 3bim h PRO 76 CO 0.45 0.00 -0.13 1.49 -0.23 0.00 0.00 178.00 179.58 3bim h GLU 77 N 0.00 0.00 -6.84 0.86 4.57 -2.04 -3.45 114.58 107.68 3bim h GLU 77 Ca 0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 3bim h GLU 77 Cb 0.11 0.00 0.06 0.00 -0.16 0.00 0.00 28.75 28.76 3bim h GLU 77 CO 0.00 0.13 0.64 0.42 -1.18 0.00 0.00 179.01 179.02 3bim s ILE 78 N -4.43 2.82 -0.24 2.32 -1.09 -0.56 -4.99 121.20 115.03 3bim s ILE 78 Ca -0.04 0.80 -0.14 0.00 -2.23 0.00 0.00 60.65 59.04 3bim s ILE 78 Cb 0.14 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 3bim s ILE 78 CO 0.62 0.18 0.34 0.21 -1.23 0.00 0.00 174.94 175.06 3bim s ASN 79 N -0.36 6.28 0.39 3.58 3.84 -1.26 -4.52 114.94 122.88 3bim s ASN 79 Ca 0.50 0.32 0.13 0.00 0.21 0.00 0.00 52.86 54.03 3bim s ASN 79 Cb -0.39 -2.20 0.95 0.00 -0.55 0.00 0.00 41.25 39.07 3bim s ASN 79 CO 0.50 -0.10 1.86 1.55 -2.79 0.00 0.00 177.10 178.12 3bim h PRO 80 N 7.80 0.52 0.00 0.43 0.13 -1.94 -0.03 132.00 138.91 3bim h PRO 80 Ca -0.34 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.66 3bim h PRO 80 Cb 1.16 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 3bim h PRO 80 CO 0.67 0.35 -0.44 1.49 -0.23 0.00 0.00 178.00 179.83 3bim h GLU 81 N 0.54 0.00 -0.13 0.86 4.81 -1.96 -0.55 114.58 118.15 3bim h GLU 81 Ca 0.45 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.65 3bim h GLU 81 Cb 0.93 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 3bim h GLU 81 CO -0.19 0.44 -0.08 0.78 -0.73 0.00 0.00 179.01 179.24 3bim h GLY 82 N 2.21 0.30 0.80 1.92 0.00 -1.33 -2.29 103.07 104.69 3bim h GLY 82 Ca -0.00 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.09 3bim h GLY 82 CO 0.06 0.25 0.37 -2.75 0.00 0.00 0.00 176.54 174.47 3bim h PHE 83 N -0.08 0.68 -0.57 5.60 3.57 -1.06 -1.94 116.94 123.14 3bim h PHE 83 Ca 0.03 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3bim h PHE 83 Cb 0.55 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 3bim h PHE 83 CO 0.07 0.37 0.34 -0.97 -2.23 0.00 0.00 178.31 175.89 3bim h ASN 84 N 0.71 0.54 -0.81 0.41 -0.73 -1.11 0.26 115.58 114.85 3bim h ASN 84 Ca 0.26 0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.50 3bim h ASN 84 Cb 0.08 -0.10 -0.06 0.00 0.27 0.00 0.00 38.32 38.51 3bim h ASN 84 CO -0.13 0.37 0.49 0.40 -0.37 0.00 0.00 177.43 178.19 3bim h ILE 85 N 0.66 1.02 -0.02 2.57 1.08 -1.15 -1.97 117.51 119.70 3bim h ILE 85 Ca 0.24 -0.31 -0.16 0.00 -0.39 0.00 0.00 64.86 64.24 3bim h ILE 85 Cb 0.06 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 33.84 3bim h ILE 85 CO -0.12 0.16 -0.70 -0.07 -0.69 0.00 0.00 178.15 176.73 3bim h LEU 86 N 0.90 0.14 -0.03 1.44 3.38 -0.49 -2.21 115.31 118.44 3bim h LEU 86 Ca 0.35 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3bim h LEU 86 Cb 0.17 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3bim h LEU 86 CO -0.17 0.80 0.01 0.25 0.09 0.00 0.00 178.44 179.42 3bim h LEU 87 N 0.08 0.04 -1.51 1.67 5.85 -0.16 -0.68 115.31 120.60 3bim h LEU 87 Ca -0.02 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 3bim h LEU 87 Cb 1.25 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3bim h LEU 87 CO 0.10 0.17 -0.19 0.44 -0.34 0.00 0.00 178.44 178.62 3bim h ASP 88 N -0.09 0.07 -0.22 1.25 3.45 -1.38 -1.98 116.42 117.52 3bim h ASP 88 Ca 0.01 -0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.35 3bim h ASP 88 Cb 0.14 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.89 3bim h ASP 88 CO -0.00 0.27 -0.29 0.15 -1.57 0.00 0.00 179.24 177.80 3bim h PHE 89 N 0.07 0.70 -0.81 4.55 3.57 -1.09 -1.60 116.94 122.33 3bim h PHE 89 Ca 0.01 -0.23 0.15 0.00 3.53 0.00 0.00 57.97 61.43 3bim h PHE 89 Cb 0.39 -0.14 -0.10 0.00 2.79 0.00 0.00 35.95 38.89 3bim h PHE 89 CO 0.00 0.95 0.38 0.52 -2.23 0.00 0.00 178.31 177.93 3bim h MET 90 N 0.26 0.52 -0.19 1.11 2.86 -0.39 -1.27 114.93 117.82 3bim h MET 90 Ca 0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3bim h MET 90 Cb 0.86 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.40 3bim h MET 90 CO 0.07 0.34 0.00 0.66 1.06 0.00 0.00 176.91 179.04 3bim n TYR 91 N -4.94 0.24 -0.05 -0.22 4.02 -0.94 -4.55 117.16 110.72 3bim n TYR 91 Ca 0.16 -0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 3bim n TYR 91 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 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 0.72 0.00 -1.00 -0.72 -2.24 -0.61 -4.49 114.28 105.94 3bim n THR 92 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3bim n THR 92 Cb 0.43 0.61 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 0.00 -1.76 -4.16 3.42 7.64 -0.50 -5.02 113.62 113.24 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 -0.35 -0.16 0.00 -1.01 0.00 0.00 64.21 62.69 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 -0.04 3.05 -0.26 1.43 0.52 -1.26 -5.05 118.95 117.35 3bim s ARG 94 Ca 0.00 -0.80 -0.07 0.00 -0.52 0.00 0.00 55.73 54.34 3bim s ARG 94 Cb 0.00 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.85 3bim s ARG 94 CO 0.00 -0.17 0.06 -1.17 0.02 0.00 0.00 175.30 174.05 3bim s LEU 95 N 1.21 3.48 -0.45 2.53 2.96 -1.26 -3.82 118.68 123.33 3bim s LEU 95 Ca 0.03 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 53.48 3bim s LEU 95 Cb -0.14 -1.90 0.08 0.00 0.50 0.00 0.00 46.19 44.74 3bim s LEU 95 CO -0.09 -0.07 0.34 0.20 -1.32 0.00 0.00 176.35 175.40 3bim s ASN 96 N 1.58 5.89 0.00 3.68 -0.87 -1.26 -5.07 114.94 118.89 3bim s ASN 96 Ca 0.06 -1.48 0.00 0.00 -1.57 0.00 0.00 52.86 49.87 3bim s ASN 96 Cb -0.15 -2.08 -0.04 0.00 -0.02 0.00 0.00 41.25 38.95 3bim s ASN 96 CO 0.03 -0.61 0.07 -0.76 -2.57 0.00 0.00 177.10 173.25 3bim s LEU 97 N 1.52 3.84 0.12 0.60 1.43 -1.26 -5.02 118.68 119.90 3bim s LEU 97 Ca 0.04 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 3bim s LEU 97 Cb -0.24 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 3bim s LEU 97 CO 0.04 0.26 -0.08 -0.13 0.23 0.00 0.00 176.35 176.67 3bim s ARG 98 N -1.77 0.92 0.27 1.70 0.52 -1.26 -5.02 118.95 114.31 3bim s ARG 98 Ca 0.23 -1.35 -0.04 0.00 -0.52 0.00 0.00 55.73 54.06 3bim s ARG 98 Cb -0.12 -0.40 0.36 0.00 0.52 0.00 0.00 34.95 35.31 3bim s ARG 98 CO 0.14 0.03 1.91 0.93 0.02 0.00 0.00 175.30 178.33 3bim h GLU 99 N 2.99 1.11 0.00 3.54 5.08 -2.00 0.25 114.58 125.55 3bim h GLU 99 Ca -0.36 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 3bim h GLU 99 Cb 1.18 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 3bim h GLU 99 CO 0.62 0.80 -0.06 0.78 -1.00 0.00 0.00 179.01 180.15 3bim h GLY 100 N 1.14 0.00 0.00 -3.84 0.00 -2.03 -3.30 103.07 95.04 3bim h GLY 100 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3bim h GLY 100 CO -0.05 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.65 3bim n ASN 101 N -3.67 0.56 -0.34 0.19 0.23 -0.97 -4.82 115.26 106.43 3bim n ASN 101 Ca -0.02 -0.82 0.07 0.00 -0.53 0.00 0.00 54.58 53.28 3bim n ASN 101 Cb 0.17 0.25 0.23 0.00 -2.08 0.00 0.00 39.78 38.35 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 0.13 0.89 -0.50 1.53 6.09 -0.59 0.10 117.51 125.15 3bim h ILE 102 Ca 0.00 -0.31 -0.11 0.00 -1.37 0.00 0.00 64.86 63.06 3bim h ILE 102 Cb 0.06 -0.10 -0.02 0.00 0.47 0.00 0.00 36.82 37.24 3bim h ILE 102 CO 0.00 0.17 -0.13 -0.03 -3.07 0.00 0.00 178.15 175.08 3bim h MET 103 N 0.91 0.98 -0.54 2.19 4.05 -1.84 0.57 114.93 121.25 3bim h MET 103 Ca 0.48 -0.38 -0.02 0.00 -0.28 0.00 0.00 59.70 59.50 3bim h MET 103 Cb 0.50 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 3bim h MET 103 CO -0.28 1.05 0.26 0.00 0.23 0.00 0.00 176.91 178.18 3bim h ALA 104 N 0.90 0.70 0.08 0.39 0.00 -1.55 0.38 119.26 120.15 3bim h ALA 104 Ca 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bim h ALA 104 Cb 0.70 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3bim h ALA 104 CO 0.05 0.26 -0.04 0.28 0.00 0.00 0.00 179.25 179.80 3bim h VAL 105 N 0.73 1.00 -0.79 0.00 2.07 -0.52 -0.66 116.25 118.07 3bim h VAL 105 Ca 0.19 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3bim h VAL 105 Cb 0.12 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3bim h VAL 105 CO -0.02 0.07 0.52 -0.03 0.02 0.00 0.00 177.57 178.13 3bim h MET 106 N -0.24 1.03 -0.04 1.57 -1.53 0.27 0.40 114.93 116.39 3bim h MET 106 Ca -0.01 -0.06 0.03 0.00 -3.44 0.00 0.00 59.70 56.22 3bim h MET 106 Cb 0.20 -0.23 -0.04 0.00 -0.55 0.00 0.00 31.60 30.98 3bim h MET 106 CO 0.02 0.68 -0.17 0.00 0.14 0.00 0.00 176.91 177.58 3bim h ALA 107 N 1.29 -0.18 -0.33 0.39 0.00 -0.73 -2.12 119.26 117.59 3bim h ALA 107 Ca 0.29 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3bim h ALA 107 Cb -0.11 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3bim h ALA 107 CO -0.07 -0.65 0.17 1.15 0.00 0.00 0.00 179.25 179.85 3bim h THR 108 N -0.26 1.00 -0.66 0.00 2.02 -0.32 -0.57 112.91 114.12 3bim h THR 108 Ca 0.07 -0.12 0.09 0.00 0.77 0.00 0.00 66.41 67.22 3bim h THR 108 Cb 0.36 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 3bim h THR 108 CO -0.20 0.06 0.44 0.00 0.37 0.00 0.00 175.52 176.19 3bim h ALA 109 N 1.16 1.93 -0.03 6.16 0.00 -0.80 0.30 119.26 127.97 3bim h ALA 109 Ca 0.13 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3bim h ALA 109 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3bim h ALA 109 CO -0.08 -0.06 -0.28 1.98 0.00 0.00 0.00 179.25 180.80 3bim h MET 110 N 0.52 0.24 -0.87 0.00 -1.53 -0.58 0.37 114.93 113.08 3bim h MET 110 Ca 0.30 -0.22 0.10 0.00 -3.44 0.00 0.00 59.70 56.44 3bim h MET 110 Cb 0.49 0.05 -0.06 0.00 -0.55 0.00 0.00 31.60 31.53 3bim h MET 110 CO -0.09 0.90 0.56 -0.92 0.14 0.00 0.00 176.91 177.50 3bim h TYR 111 N -0.35 0.89 -0.00 1.39 3.20 -0.46 -1.54 116.97 120.10 3bim h TYR 111 Ca -0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3bim h TYR 111 Cb 0.98 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.96 3bim h TYR 111 CO 0.15 0.40 -0.15 1.28 -1.64 0.00 0.00 178.16 178.20 3bim n LEU 112 N -4.53 0.27 -1.39 2.82 4.77 0.03 -4.80 117.00 114.17 3bim n LEU 112 Ca 0.15 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.25 3bim n LEU 112 Cb 0.34 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 3bim n LEU 112 CO 0.31 0.06 -0.01 0.00 -1.33 0.00 0.00 177.39 176.42 3bim n GLN 113 N -1.31 -1.99 -3.31 3.23 6.02 -0.58 -2.75 117.38 116.69 3bim n GLN 113 Ca 0.10 0.39 -0.46 0.00 -0.01 0.00 0.00 57.00 57.01 3bim n GLN 113 Cb 0.31 -4.19 -0.01 0.00 1.02 0.00 0.00 30.24 27.37 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 -4.98 3.78 0.11 -1.09 -1.94 0.13 -4.45 119.30 110.85 3bim s MET 114 Ca 0.12 -2.65 -0.14 0.00 -1.71 0.00 0.00 55.69 51.31 3bim s MET 114 Cb -0.05 -4.49 -0.06 0.00 2.01 0.00 0.00 34.83 32.24 3bim s MET 114 CO 0.15 -1.30 1.46 0.93 -0.01 0.00 0.00 175.02 176.25 3bim h GLU 115 N 7.50 0.73 0.00 2.03 3.07 -1.94 -2.59 114.58 123.38 3bim h GLU 115 Ca 0.13 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 3bim h GLU 115 Cb 0.99 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.89 3bim h GLU 115 CO 0.84 0.95 -0.03 1.12 -1.40 0.00 0.00 179.01 180.49 3bim h HIS 116 N 0.50 0.00 0.15 4.33 2.07 -1.96 0.16 115.15 120.40 3bim h HIS 116 Ca 0.07 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.35 3bim h HIS 116 Cb 0.77 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.77 3bim h HIS 116 CO 0.06 0.03 -1.00 0.28 -3.07 0.00 0.00 177.93 174.23 3bim h VAL 117 N 0.00 1.42 -0.18 6.12 2.07 -1.90 -2.43 116.25 121.35 3bim h VAL 117 Ca -0.00 -2.51 0.05 0.00 0.82 0.00 0.00 66.70 65.06 3bim h VAL 117 Cb 0.07 3.04 -0.06 0.00 -1.52 0.00 0.00 31.29 32.82 3bim h VAL 117 CO 0.00 0.73 -0.20 0.58 0.02 0.00 0.00 177.57 178.70 3bim h VAL 118 N -0.14 0.48 -0.54 2.57 2.07 -0.93 0.67 116.25 120.44 3bim h VAL 118 Ca -0.17 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.46 3bim h VAL 118 Cb 1.76 0.48 -0.10 0.00 -1.52 0.00 0.00 31.29 31.91 3bim h VAL 118 CO 0.19 0.00 -0.17 0.44 0.02 0.00 0.00 177.57 178.05 3bim h ASP 119 N -0.23 -0.62 0.52 0.57 3.32 -0.74 -0.03 116.42 119.20 3bim h ASP 119 Ca 0.12 0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.29 3bim h ASP 119 Cb 0.41 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3bim h ASP 119 CO -0.32 -0.21 -0.25 0.74 -1.72 0.00 0.00 179.24 177.48 3bim h THR 120 N -0.04 0.83 0.53 0.35 2.02 -0.91 0.34 112.91 116.03 3bim h THR 120 Ca 0.26 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 3bim h THR 120 Cb 0.44 1.60 0.01 0.00 -1.74 0.00 0.00 68.15 68.45 3bim h THR 120 CO -0.58 0.25 -0.26 0.00 0.37 0.00 0.00 175.52 175.31 3bim n ARG 122 N -5.25 -0.32 0.00 0.00 0.63 -0.17 -1.19 116.66 110.35 3bim n ARG 122 Ca -0.09 1.35 0.01 0.00 -0.92 0.00 0.00 57.85 58.20 3bim n ARG 122 Cb 0.29 -2.00 0.04 0.00 0.45 0.00 0.00 32.46 31.24 3bim n ARG 122 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3bim n LYS 123 N -4.63 0.19 -0.06 -0.14 5.02 0.12 -1.19 118.16 117.46 3bim n LYS 123 Ca 0.01 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.23 3bim n LYS 123 Cb 0.19 -1.12 -0.08 0.00 -0.02 0.00 0.00 35.03 34.01 3bim n LYS 123 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bim n PHE 124 N -0.62 0.00 0.65 2.13 7.35 -0.34 -4.25 117.46 122.39 3bim n PHE 124 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 3bim n PHE 124 Cb 0.00 -0.54 0.00 0.00 0.35 0.00 0.00 39.48 39.30 3bim n PHE 124 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3bim n ILE 125 N -2.64 0.42 -0.10 -2.13 5.41 -0.34 -2.76 119.36 117.22 3bim n ILE 125 Ca -0.21 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.40 3bim n ILE 125 Cb 0.81 -0.64 -0.14 0.00 -0.71 0.00 0.00 39.64 38.96 3bim n ILE 125 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3bim n LYS 126 N 0.50 0.67 -1.95 0.38 4.81 -1.25 -4.36 118.16 116.97 3bim n LYS 126 Ca 0.00 0.10 -0.24 0.00 -0.87 0.00 0.00 58.31 57.30 3bim n LYS 126 Cb 0.27 -1.55 -0.06 0.00 0.02 0.00 0.00 35.03 33.70 3bim n LYS 126 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3bim s ALA 127 N -2.52 1.46 -1.73 3.14 0.00 -1.11 -5.19 121.76 115.82 3bim s ALA 127 Ca -0.22 -1.67 0.14 0.00 0.00 0.00 0.00 51.96 50.22 3bim s ALA 127 Cb 0.07 -4.62 0.11 0.00 0.00 0.00 0.00 23.12 18.68 3bim s ALA 127 CO 0.72 -5.35 0.94 0.45 0.00 0.00 0.00 175.76 172.52