#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2brs s TYR 4 N 0.00 1.39 0.04 -1.55 -0.85 -1.26 -0.42 117.35 114.70 2brs s TYR 4 Ca 0.00 -0.69 -0.05 0.00 -0.52 0.00 0.00 57.07 55.81 2brs s TYR 4 Cb 0.00 -0.69 -0.01 0.00 0.38 0.00 0.00 41.96 41.64 2brs s TYR 4 CO 0.00 0.16 0.09 -0.48 -1.52 0.00 0.00 175.55 173.80 2brs s LEU 5 N -3.11 1.82 -0.17 -3.49 0.05 0.18 -4.97 118.68 108.99 2brs s LEU 5 Ca 0.17 -0.53 -0.09 0.00 0.05 0.00 0.00 54.13 53.73 2brs s LEU 5 Cb 0.01 0.58 -0.05 0.00 -2.05 0.00 0.00 46.19 44.68 2brs s LEU 5 CO 0.02 -0.50 0.13 -0.22 -0.55 0.00 0.00 176.35 175.24 2brs s LEU 6 N -2.10 4.27 -0.29 1.48 2.96 -1.26 -1.02 118.68 122.72 2brs s LEU 6 Ca -0.05 0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 54.12 2brs s LEU 6 Cb -0.01 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.61 2brs s LEU 6 CO -0.04 0.26 0.04 -0.69 -1.32 0.00 0.00 176.35 174.59 2brs s VAL 7 N -0.11 3.57 0.11 1.68 1.01 -0.41 -4.99 120.40 121.28 2brs s VAL 7 Ca 0.10 -0.87 0.29 0.00 0.00 0.00 0.00 61.98 61.50 2brs s VAL 7 Cb -0.11 -2.86 0.32 0.00 0.00 0.00 0.00 36.38 33.72 2brs s VAL 7 CO 0.00 0.08 1.91 0.03 0.00 0.00 0.00 175.10 177.12 2brs h ARG 8 N 8.15 0.00 -6.68 2.72 3.08 -1.98 -2.71 114.38 116.97 2brs h ARG 8 Ca -0.30 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.18 2brs h ARG 8 Cb 1.11 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.26 2brs h ARG 8 CO 0.59 0.11 0.61 0.45 -1.07 0.00 0.00 179.97 180.65 2brs n SER 9 N -3.25 2.91 -4.61 7.04 2.88 -1.26 -4.65 113.62 112.69 2brs n SER 9 Ca 0.00 1.17 -0.42 0.00 -1.33 0.00 0.00 58.87 58.29 2brs n SER 9 Cb 0.36 -1.47 -0.04 0.00 -0.75 0.00 0.00 64.21 62.31 2brs n SER 9 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2brs s LEU 10 N -0.44 4.05 0.04 2.46 1.43 -1.26 -4.17 118.68 120.79 2brs s LEU 10 Ca 0.62 0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 54.28 2brs s LEU 10 Cb -0.60 -3.17 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 2brs s LEU 10 CO 0.55 -0.75 0.07 -1.10 0.23 0.00 0.00 176.35 175.35 2brs s GLN 11 N 3.23 0.57 1.00 1.70 -0.21 -0.31 -4.69 119.66 120.95 2brs s GLN 11 Ca 0.35 -0.78 -0.12 0.00 0.02 0.00 0.00 55.36 54.83 2brs s GLN 11 Cb -0.13 0.22 0.19 0.00 1.00 0.00 0.00 33.01 34.29 2brs s GLN 11 CO 0.16 -0.14 1.08 0.95 -2.12 0.00 0.00 175.29 175.22 2brs s THR 12 N -2.64 2.25 0.10 -0.19 -4.23 -1.25 -1.53 115.64 108.16 2brs s THR 12 Ca -0.05 0.08 -0.25 0.00 -1.18 0.00 0.00 61.69 60.30 2brs s THR 12 Cb -0.01 -2.44 -0.10 0.00 1.34 0.00 0.00 72.50 71.28 2brs s THR 12 CO -0.05 -0.11 1.69 0.15 -0.54 0.00 0.00 174.62 175.76 2brs h PHE 13 N -1.95 -0.33 -0.68 3.99 3.57 -1.44 -1.09 116.94 119.01 2brs h PHE 13 Ca -0.54 0.01 0.03 0.00 3.53 0.00 0.00 57.97 60.99 2brs h PHE 13 Cb 1.31 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 40.15 2brs h PHE 13 CO 0.34 -0.19 0.45 1.03 -2.23 0.00 0.00 178.31 177.70 2brs h SER 14 N -0.25 0.72 -0.16 0.41 0.87 -1.93 -0.23 113.55 112.97 2brs h SER 14 Ca 0.02 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 2brs h SER 14 Cb 0.27 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2brs h SER 14 CO -0.08 0.51 -0.05 1.56 -0.53 0.00 0.00 176.83 178.24 2brs h GLN 15 N 0.84 0.32 -0.55 2.24 4.20 -1.83 -2.78 115.11 117.55 2brs h GLN 15 Ca 0.26 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2brs h GLN 15 Cb 0.02 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2brs h GLN 15 CO -0.07 0.61 0.35 0.00 -0.67 0.00 0.00 178.83 179.04 2brs h ALA 16 N 0.71 0.70 -0.49 3.87 0.00 -0.76 0.07 119.26 123.35 2brs h ALA 16 Ca 0.04 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2brs h ALA 16 Cb 0.49 -0.22 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 2brs h ALA 16 CO 0.02 0.16 -0.16 2.35 0.00 0.00 0.00 179.25 181.62 2brs h TRP 17 N 0.74 -0.37 0.10 0.00 7.01 -1.01 0.39 115.95 122.80 2brs h TRP 17 Ca 0.20 0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 2brs h TRP 17 Cb -0.05 0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.25 2brs h TRP 17 CO -0.03 -0.25 -0.05 0.35 -2.79 0.00 0.00 178.44 175.67 2brs h PHE 18 N -0.05 -0.12 -0.61 2.65 3.57 -1.16 -2.97 116.94 118.26 2brs h PHE 18 Ca 0.23 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.80 2brs h PHE 18 Cb 0.41 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 2brs h PHE 18 CO -0.45 0.02 0.30 1.15 -2.23 0.00 0.00 178.31 177.10 2brs h THR 19 N -0.24 0.89 -0.98 4.41 2.02 -0.18 -1.13 112.91 117.70 2brs h THR 19 Ca -0.01 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.00 2brs h THR 19 Cb 0.20 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 2brs h THR 19 CO 0.02 0.10 0.65 0.00 0.37 0.00 0.00 175.52 176.66 2brs h ARG 21 N 1.29 0.09 0.22 0.00 3.08 -1.20 -1.33 114.38 116.53 2brs h ARG 21 Ca 0.38 -0.05 -0.33 0.00 0.07 0.00 0.00 59.98 60.04 2brs h ARG 21 Cb -0.08 0.01 0.04 0.00 0.08 0.00 0.00 29.97 30.01 2brs h ARG 21 CO -0.10 0.62 -1.42 0.00 -1.07 0.00 0.00 179.97 178.00 2brs h ARG 22 N -0.43 0.57 0.02 0.04 2.47 -1.18 -1.47 114.38 114.40 2brs h ARG 22 Ca 0.00 -0.91 -0.23 0.00 -1.26 0.00 0.00 59.98 57.58 2brs h ARG 22 Cb 0.61 0.33 -0.03 0.00 -1.65 0.00 0.00 29.97 29.23 2brs h ARG 22 CO 0.01 1.43 -1.17 0.00 0.56 0.00 0.00 179.97 180.81 2brs n TYR 24 N -3.33 0.00 -3.22 0.00 4.02 -1.11 -5.01 117.16 108.52 2brs n TYR 24 Ca -0.04 -0.12 -0.23 0.00 -0.01 0.00 0.00 57.90 57.49 2brs n TYR 24 Cb 0.97 -0.01 0.03 0.00 -0.02 0.00 0.00 39.34 40.31 2brs n TYR 24 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2brs n ARG 25 N -0.12 -4.82 0.00 -0.72 0.63 -0.55 -4.84 116.66 106.24 2brs n ARG 25 Ca 0.00 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 2brs n ARG 25 Cb 0.10 -5.61 0.00 0.00 0.45 0.00 0.00 32.46 27.40 2brs n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2brs n GLY 26 N -1.49 5.38 3.23 5.14 0.00 -0.52 -4.90 105.19 112.03 2brs n GLY 26 Ca -0.07 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 2brs n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2brs s ASN 27 N 1.00 0.09 0.25 1.61 -0.87 -1.17 -3.11 114.94 112.74 2brs s ASN 27 Ca 0.00 -0.67 -0.31 0.00 -1.57 0.00 0.00 52.86 50.31 2brs s ASN 27 Cb 0.00 0.36 -0.13 0.00 -0.02 0.00 0.00 41.25 41.47 2brs s ASN 27 CO 0.00 -0.76 1.53 0.18 -2.57 0.00 0.00 177.10 175.48 2brs n LEU 28 N -0.10 3.71 -4.65 0.60 4.77 -1.26 -1.11 117.00 118.96 2brs n LEU 28 Ca -0.14 1.13 -0.36 0.00 -0.03 0.00 0.00 56.01 56.61 2brs n LEU 28 Cb 0.63 -1.51 0.08 0.00 -2.33 0.00 0.00 43.42 40.29 2brs n LEU 28 CO 0.22 -0.14 0.65 0.55 -1.33 0.00 0.00 177.39 177.35 2brs n VAL 29 N 2.37 3.48 -4.76 4.08 3.14 -0.62 -4.00 118.33 122.03 2brs n VAL 29 Ca 0.11 -0.41 -0.29 0.00 -2.96 0.00 0.00 64.34 60.79 2brs n VAL 29 Cb 0.34 -1.22 -0.14 0.00 -1.06 0.00 0.00 33.84 31.76 2brs n VAL 29 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2brs s SER 30 N -1.55 3.02 -0.12 6.55 1.04 -1.26 0.08 113.70 121.46 2brs s SER 30 Ca 0.76 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 56.62 2brs s SER 30 Cb -0.36 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.50 2brs s SER 30 CO 0.47 0.22 -0.21 -0.63 0.98 0.00 0.00 173.24 174.07 2brs s ILE 31 N -0.85 2.23 -0.49 -1.02 1.01 -1.26 -5.02 121.20 115.81 2brs s ILE 31 Ca 0.11 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.86 2brs s ILE 31 Cb -0.10 -1.88 0.04 0.00 0.01 0.00 0.00 42.46 40.53 2brs s ILE 31 CO 0.03 0.55 0.69 1.41 0.00 0.00 0.00 174.94 177.62 2brs n HIS 32 N 3.71 0.02 -3.51 3.97 8.25 -1.26 -4.53 115.22 121.88 2brs n HIS 32 Ca -0.19 -0.07 -0.09 0.00 -0.26 0.00 0.00 57.72 57.11 2brs n HIS 32 Cb 0.52 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.61 2brs n HIS 32 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2brs s ASN 33 N -0.43 -0.39 0.29 0.41 2.20 -1.26 -4.70 114.94 111.05 2brs s ASN 33 Ca 0.05 -0.03 -0.03 0.00 -0.94 0.00 0.00 52.86 51.92 2brs s ASN 33 Cb 0.04 0.43 0.41 0.00 -2.00 0.00 0.00 41.25 40.12 2brs s ASN 33 CO 0.05 -0.70 1.94 0.15 -2.94 0.00 0.00 177.10 175.60 2brs h PHE 34 N 2.00 1.05 -0.19 1.54 3.57 -1.98 -2.20 116.94 120.72 2brs h PHE 34 Ca -0.24 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.32 2brs h PHE 34 Cb 1.25 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.58 2brs h PHE 34 CO 0.26 0.69 -0.22 -0.97 -2.23 0.00 0.00 178.31 175.84 2brs h ASN 35 N 1.11 -0.69 -0.35 0.41 -0.00 -1.99 0.60 115.58 114.67 2brs h ASN 35 Ca 0.29 0.12 -0.16 0.00 -0.00 0.00 0.00 56.30 56.56 2brs h ASN 35 Cb -0.07 0.32 -0.01 0.00 -0.00 0.00 0.00 38.32 38.56 2brs h ASN 35 CO -0.06 -0.26 -0.38 0.40 -0.00 0.00 0.00 177.43 177.13 2brs h ILE 36 N -0.24 1.27 -0.85 2.57 1.08 -1.95 -2.19 117.51 117.20 2brs h ILE 36 Ca 0.12 -1.56 0.02 0.00 -0.39 0.00 0.00 64.86 63.06 2brs h ILE 36 Cb 0.43 1.39 -0.05 0.00 -3.07 0.00 0.00 36.82 35.52 2brs h ILE 36 CO -0.33 0.52 0.56 -1.13 -0.69 0.00 0.00 178.15 177.07 2brs h ASN 37 N 0.74 0.94 -0.27 1.72 -1.24 -1.02 0.03 115.58 116.47 2brs h ASN 37 Ca 0.06 -0.02 -0.17 0.00 0.71 0.00 0.00 56.30 56.89 2brs h ASN 37 Cb 0.97 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.79 2brs h ASN 37 CO 0.09 0.66 -0.48 0.22 -1.29 0.00 0.00 177.43 176.64 2brs h TYR 38 N 1.10 1.01 -0.77 0.67 3.20 -0.76 -0.72 116.97 120.68 2brs h TYR 38 Ca 0.32 -0.35 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 2brs h TYR 38 Cb -0.05 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 2brs h TYR 38 CO -0.00 1.16 0.27 0.00 -1.64 0.00 0.00 178.16 177.95 2brs h ARG 39 N 0.56 1.18 -0.60 1.82 3.08 -0.86 -0.57 114.38 118.99 2brs h ARG 39 Ca 0.02 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.73 2brs h ARG 39 Cb 1.08 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 2brs h ARG 39 CO 0.11 0.98 -0.01 0.82 -1.07 0.00 0.00 179.97 180.80 2brs h ILE 40 N 1.14 1.27 -0.08 2.04 2.04 -0.94 -2.58 117.51 120.39 2brs h ILE 40 Ca 0.25 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 64.97 2brs h ILE 40 Cb 0.27 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2brs h ILE 40 CO -0.01 0.42 -0.10 -0.61 0.00 0.00 0.00 178.15 177.85 2brs h GLN 41 N 0.97 -0.12 -0.80 2.37 4.15 -0.47 -2.41 115.11 118.79 2brs h GLN 41 Ca 0.17 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.65 2brs h GLN 41 Cb 0.58 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.24 2brs h GLN 41 CO 0.03 -0.08 0.49 0.00 -1.93 0.00 0.00 178.83 177.35 2brs h SER 43 N 0.92 0.00 -0.07 0.00 0.02 -1.02 -2.65 113.55 110.75 2brs h SER 43 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2brs h SER 43 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2brs h SER 43 CO -0.15 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 176.87 2brs n VAL 44 N -4.10 0.19 0.17 2.27 0.24 -0.87 -4.69 118.33 111.54 2brs n VAL 44 Ca -0.01 -0.60 0.17 0.00 -2.04 0.00 0.00 64.34 61.86 2brs n VAL 44 Cb 0.16 1.08 0.64 0.00 -1.47 0.00 0.00 33.84 34.25 2brs n VAL 44 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2brs h SER 45 N 2.05 0.00 0.28 -1.34 4.64 -0.87 -1.98 113.55 116.32 2brs h SER 45 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2brs h SER 45 Cb 0.49 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 2brs h SER 45 CO 0.00 0.00 -1.84 0.00 -0.87 0.00 0.00 176.83 174.12 2brs n ALA 46 N -2.05 2.25 -1.00 5.18 0.00 -1.26 -4.93 120.51 118.69 2brs n ALA 46 Ca 0.05 -0.69 -0.36 0.00 0.00 0.00 0.00 53.44 52.44 2brs n ALA 46 Cb 0.70 -0.70 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2brs n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2brs n LEU 47 N -2.57 -5.66 0.05 0.00 4.77 -0.75 -4.89 117.00 107.94 2brs n LEU 47 Ca -0.12 0.21 0.03 0.00 -0.03 0.00 0.00 56.01 56.10 2brs n LEU 47 Cb 0.77 -0.79 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 2brs n LEU 47 CO 0.44 -5.88 -0.20 -1.13 -1.33 0.00 0.00 177.39 169.29 2brs h ASN 48 N -0.98 0.00 -4.26 -1.43 -0.73 -1.95 -3.47 115.58 102.77 2brs h ASN 48 Ca -0.44 0.00 -0.50 0.00 1.87 0.00 0.00 56.30 57.24 2brs h ASN 48 Cb 1.31 0.00 0.06 0.00 0.27 0.00 0.00 38.32 39.96 2brs h ASN 48 CO 0.24 0.42 0.38 -1.10 -0.37 0.00 0.00 177.43 177.01 2brs s GLN 49 N -3.04 3.39 0.00 6.67 1.11 -1.26 -4.98 119.66 121.55 2brs s GLN 49 Ca -0.02 1.02 0.27 0.00 0.01 0.00 0.00 55.36 56.63 2brs s GLN 49 Cb 0.09 -2.05 0.82 0.00 -1.01 0.00 0.00 33.01 30.85 2brs s GLN 49 CO 0.80 -0.74 1.63 0.41 0.01 0.00 0.00 175.29 177.41 2brs n GLY 50 N -1.64 -1.36 3.48 3.09 0.00 -1.26 -4.71 105.19 102.79 2brs n GLY 50 Ca 0.08 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 2brs n GLY 50 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2brs s GLN 51 N -3.00 1.21 0.04 1.61 -2.07 -1.26 -1.61 119.66 114.59 2brs s GLN 51 Ca 0.12 -0.48 0.04 0.00 -1.82 0.00 0.00 55.36 53.23 2brs s GLN 51 Cb 0.18 0.54 -0.02 0.00 -1.09 0.00 0.00 33.01 32.62 2brs s GLN 51 CO 0.63 -0.53 -0.12 0.14 -1.32 0.00 0.00 175.29 174.08 2brs s VAL 52 N -3.61 0.96 0.27 3.63 -7.23 -0.15 -4.17 120.40 110.09 2brs s VAL 52 Ca 0.03 -1.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.90 2brs s VAL 52 Cb -0.01 -0.90 -0.09 0.00 0.56 0.00 0.00 36.38 35.93 2brs s VAL 52 CO -0.10 -0.09 1.17 0.26 -0.31 0.00 0.00 175.10 176.02 2brs s TRP 53 N -0.96 3.43 0.33 2.82 0.23 0.10 -0.25 118.94 124.63 2brs s TRP 53 Ca -0.01 1.58 0.04 0.00 -2.03 0.00 0.00 56.10 55.68 2brs s TRP 53 Cb -0.08 -3.40 -0.06 0.00 0.03 0.00 0.00 33.47 29.95 2brs s TRP 53 CO 0.01 -0.98 0.05 0.96 0.96 0.00 0.00 176.95 177.95 2brs s ILE 54 N -0.91 1.27 -0.96 2.03 -4.36 -1.02 -2.20 121.20 115.05 2brs s ILE 54 Ca 0.47 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.86 2brs s ILE 54 Cb -0.34 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.58 2brs s ILE 54 CO 0.43 -0.02 0.18 0.61 0.24 0.00 0.00 174.94 176.38 2brs n GLY 55 N -0.70 0.54 3.84 6.27 0.00 0.11 -4.62 105.19 110.63 2brs n GLY 55 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2brs n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2brs s GLY 56 N -0.58 2.47 -0.09 -0.02 0.00 -1.26 -1.53 107.32 106.32 2brs s GLY 56 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 44.72 44.40 2brs s GLY 56 CO 0.00 0.12 0.31 -1.60 0.00 0.00 0.00 173.10 171.93 2brs s ARG 57 N -1.42 0.46 -0.34 2.90 3.52 -0.32 -1.48 118.95 122.27 2brs s ARG 57 Ca 0.29 0.24 -0.12 0.00 -0.13 0.00 0.00 55.73 56.02 2brs s ARG 57 Cb -0.16 0.21 -0.00 0.00 -1.56 0.00 0.00 34.95 33.44 2brs s ARG 57 CO 0.16 -0.08 0.21 0.42 -0.81 0.00 0.00 175.30 175.19 2brs s ILE 58 N -0.29 4.91 0.36 4.11 1.01 -0.31 -0.83 121.20 130.16 2brs s ILE 58 Ca -0.04 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.26 2brs s ILE 58 Cb -0.03 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 2brs s ILE 58 CO 0.01 -0.04 0.06 0.42 0.00 0.00 0.00 174.94 175.39 2brs s THR 59 N 1.65 2.59 0.00 2.92 -4.23 0.16 -4.85 115.64 113.88 2brs s THR 59 Ca 0.05 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 2brs s THR 59 Cb -0.18 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2brs s THR 59 CO 0.08 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 2brs n GLY 60 N -1.03 2.40 3.24 3.99 0.00 -1.26 -1.21 105.19 111.32 2brs n GLY 60 Ca -0.03 -2.03 -0.18 0.00 0.00 0.00 0.00 46.02 43.78 2brs n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2brs s SER 61 N 0.00 1.99 0.00 1.61 1.04 -1.26 -4.97 113.70 112.11 2brs s SER 61 Ca 0.00 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2brs s SER 61 Cb 0.00 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.05 2brs s SER 61 CO 0.00 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2brs n GLY 62 N 0.49 -0.09 0.10 7.32 0.00 -1.26 -4.25 105.19 107.51 2brs n GLY 62 Ca -0.15 -1.22 -0.14 0.00 0.00 0.00 0.00 46.02 44.51 2brs n GLY 62 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2brs h ARG 63 N 0.00 0.12 -5.37 1.61 3.08 -2.03 -3.45 114.38 108.34 2brs h ARG 63 Ca 0.00 -0.20 -0.65 0.00 0.07 0.00 0.00 59.98 59.20 2brs h ARG 63 Cb 0.00 0.07 -0.15 0.00 0.08 0.00 0.00 29.97 29.97 2brs h ARG 63 CO 0.00 0.81 0.09 0.00 -1.07 0.00 0.00 179.97 179.80 2brs n ARG 65 N 6.15 0.91 -3.69 0.00 1.74 -1.26 -4.35 116.66 116.16 2brs n ARG 65 Ca -0.02 -0.66 -0.12 0.00 -0.77 0.00 0.00 57.85 56.27 2brs n ARG 65 Cb 0.48 0.35 -0.07 0.00 -1.02 0.00 0.00 32.46 32.21 2brs n ARG 65 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2brs s ARG 66 N -2.30 0.88 -0.27 5.56 1.70 -0.35 -5.01 118.95 119.17 2brs s ARG 66 Ca 0.04 -0.41 -0.08 0.00 -0.47 0.00 0.00 55.73 54.81 2brs s ARG 66 Cb 0.00 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.75 2brs s ARG 66 CO 0.03 -0.30 0.10 -0.06 -1.08 0.00 0.00 175.30 173.99 2brs s PHE 67 N -2.50 3.12 0.24 5.89 0.40 -1.26 -0.67 117.98 123.20 2brs s PHE 67 Ca -0.05 -0.44 0.07 0.00 -0.60 0.00 0.00 56.93 55.91 2brs s PHE 67 Cb -0.01 -2.28 -0.05 0.00 0.51 0.00 0.00 43.02 41.19 2brs s PHE 67 CO -0.03 -0.38 -0.10 -0.65 0.70 0.00 0.00 175.22 174.77 2brs s GLN 68 N 1.62 1.44 -0.13 0.44 -0.21 -0.01 -4.71 119.66 118.09 2brs s GLN 68 Ca 0.06 -1.69 -0.03 0.00 0.02 0.00 0.00 55.36 53.72 2brs s GLN 68 Cb -0.16 -1.12 -0.03 0.00 1.00 0.00 0.00 33.01 32.71 2brs s GLN 68 CO 0.05 0.10 -0.03 -1.58 -2.12 0.00 0.00 175.29 171.71 2brs s TRP 69 N -3.01 3.06 -0.89 0.91 0.52 -1.26 -1.18 118.94 117.08 2brs s TRP 69 Ca 0.26 -0.13 0.10 0.00 0.02 0.00 0.00 56.10 56.35 2brs s TRP 69 Cb 0.02 -1.90 0.46 0.00 -1.15 0.00 0.00 33.47 30.89 2brs s TRP 69 CO 0.09 0.13 1.32 1.33 0.02 0.00 0.00 176.95 179.84 2brs n VAL 70 N 3.09 1.37 -0.36 4.03 0.24 -0.58 -1.50 118.33 124.63 2brs n VAL 70 Ca -0.18 0.38 0.08 0.00 -2.04 0.00 0.00 64.34 62.59 2brs n VAL 70 Cb 0.53 -1.26 0.32 0.00 -1.47 0.00 0.00 33.84 31.96 2brs n VAL 70 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2brs n ASP 71 N -1.62 4.29 0.00 -1.34 5.75 -1.26 -4.95 116.55 117.42 2brs n ASP 71 Ca 0.02 -2.39 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 2brs n ASP 71 Cb 0.10 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 2brs n ASP 71 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2brs n GLY 72 N 1.07 1.66 3.55 6.12 0.00 -0.56 -4.99 105.19 112.04 2brs n GLY 72 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 2brs n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2brs s SER 73 N -2.34 1.42 0.35 1.61 1.04 -1.26 -4.94 113.70 109.57 2brs s SER 73 Ca 0.00 1.31 -0.13 0.00 0.48 0.00 0.00 55.95 57.60 2brs s SER 73 Cb 0.00 -2.03 -0.08 0.00 0.10 0.00 0.00 66.02 64.01 2brs s SER 73 CO 0.00 -3.90 0.75 0.00 0.98 0.00 0.00 173.24 171.07 2brs s ARG 74 N -4.70 3.93 -0.91 4.02 1.70 -1.26 -4.40 118.95 117.33 2brs s ARG 74 Ca 0.67 0.60 -0.20 0.00 -0.47 0.00 0.00 55.73 56.34 2brs s ARG 74 Cb -0.22 -2.42 0.11 0.00 -0.57 0.00 0.00 34.95 31.85 2brs s ARG 74 CO 0.62 0.09 1.15 -0.46 -1.08 0.00 0.00 175.30 175.62 2brs s TRP 75 N -2.11 2.97 0.00 5.89 -0.11 -1.26 -4.74 118.94 119.57 2brs s TRP 75 Ca 0.53 -1.19 0.00 0.00 1.22 0.00 0.00 56.10 56.66 2brs s TRP 75 Cb -0.10 -4.35 0.00 0.00 -1.50 0.00 0.00 33.47 27.52 2brs s TRP 75 CO 0.22 -1.58 0.85 0.27 -4.62 0.00 0.00 176.95 172.09 2brs n ASN 76 N 7.07 1.60 -3.63 5.86 0.23 -1.26 -5.05 115.26 120.07 2brs n ASN 76 Ca 0.21 -1.72 -0.16 0.00 -0.53 0.00 0.00 54.58 52.39 2brs n ASN 76 Cb 0.49 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.12 2brs n ASN 76 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2brs s PHE 77 N -0.72 -0.51 -0.02 -2.53 5.36 -1.26 -5.01 117.98 113.30 2brs s PHE 77 Ca 0.00 0.96 -0.29 0.00 -0.96 0.00 0.00 56.93 56.64 2brs s PHE 77 Cb 0.00 0.27 0.08 0.00 -0.34 0.00 0.00 43.02 43.03 2brs s PHE 77 CO 0.00 -0.48 0.71 0.00 -1.46 0.00 0.00 175.22 173.99 2brs s ALA 78 N -0.90 -1.75 -0.41 11.12 0.00 -1.26 -4.89 121.76 123.67 2brs s ALA 78 Ca -0.09 1.16 0.09 0.00 0.00 0.00 0.00 51.96 53.12 2brs s ALA 78 Cb -0.02 0.13 0.30 0.00 0.00 0.00 0.00 23.12 23.52 2brs s ALA 78 CO 0.06 -0.46 0.65 0.98 0.00 0.00 0.00 175.76 176.99 2brs n TYR 79 N 0.57 0.35 -2.10 0.00 9.36 -1.26 -5.09 117.16 118.99 2brs n TYR 79 Ca -0.17 -3.73 -0.40 0.00 3.32 0.00 0.00 57.90 56.92 2brs n TYR 79 Cb 0.59 -0.40 -0.01 0.00 -0.63 0.00 0.00 39.34 38.89 2brs n TYR 79 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2brs s TRP 80 N -1.93 2.90 0.18 2.98 0.52 -1.26 -1.60 118.94 120.73 2brs s TRP 80 Ca 0.38 1.43 -0.30 0.00 0.02 0.00 0.00 56.10 57.63 2brs s TRP 80 Cb 0.25 -3.64 -0.09 0.00 -1.15 0.00 0.00 33.47 28.85 2brs s TRP 80 CO -0.09 -1.94 1.33 0.00 0.02 0.00 0.00 176.95 176.27 2brs s ALA 81 N -1.25 3.54 0.41 0.98 0.00 -0.64 -4.76 121.76 120.05 2brs s ALA 81 Ca 0.55 1.12 0.08 0.00 0.00 0.00 0.00 51.96 53.71 2brs s ALA 81 Cb -0.37 -3.50 0.89 0.00 0.00 0.00 0.00 23.12 20.14 2brs s ALA 81 CO 0.48 -0.56 2.04 0.00 0.00 0.00 0.00 175.76 177.72 2brs h ALA 82 N 5.69 1.76 -3.16 0.00 0.00 -1.94 -3.41 119.26 118.21 2brs h ALA 82 Ca -0.44 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 53.82 2brs h ALA 82 Cb 1.21 -0.15 -0.35 0.00 0.00 0.00 0.00 17.79 18.50 2brs h ALA 82 CO 0.79 0.19 -0.85 -1.01 0.00 0.00 0.00 179.25 178.38 2brs s HIS 83 N -5.48 2.35 -0.26 0.00 3.76 -1.26 -5.09 115.29 109.31 2brs s HIS 83 Ca -0.08 -1.27 -0.29 0.00 -0.15 0.00 0.00 55.06 53.27 2brs s HIS 83 Cb 0.18 -1.67 0.18 0.00 1.11 0.00 0.00 32.58 32.38 2brs s HIS 83 CO 0.73 -0.64 1.28 1.14 -0.85 0.00 0.00 174.74 176.40 2brs s GLN 84 N 1.20 0.18 0.14 1.40 -2.07 -1.26 -5.10 119.66 114.14 2brs s GLN 84 Ca -0.00 0.04 -0.31 0.00 -1.82 0.00 0.00 55.36 53.27 2brs s GLN 84 Cb -0.14 0.08 -0.10 0.00 -1.09 0.00 0.00 33.01 31.76 2brs s GLN 84 CO -0.07 -0.06 1.67 -2.14 -1.32 0.00 0.00 175.29 173.37 2brs s PRO 85 N -1.06 4.18 -0.03 9.60 0.02 -1.26 -4.85 135.00 141.59 2brs s PRO 85 Ca 0.07 2.44 -0.05 0.00 0.02 0.00 0.00 61.00 63.48 2brs s PRO 85 Cb -0.01 -3.34 -0.02 0.00 0.02 0.00 0.00 34.50 31.15 2brs s PRO 85 CO -0.06 -0.71 -0.09 1.87 -0.33 0.00 0.00 177.00 177.68 2brs n TRP 86 N 4.74 0.00 -1.82 6.54 -0.00 -1.26 -4.43 117.44 121.20 2brs n TRP 86 Ca 0.15 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.23 2brs n TRP 86 Cb 0.38 -0.13 -0.03 0.00 -0.00 0.00 0.00 31.31 31.54 2brs n TRP 86 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2brs s SER 87 N -4.90 6.48 0.00 5.87 0.15 -1.26 -1.21 113.70 118.83 2brs s SER 87 Ca -0.07 2.74 0.00 0.00 0.70 0.00 0.00 55.95 59.32 2brs s SER 87 Cb 0.01 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2brs s SER 87 CO 0.11 -0.91 0.00 0.54 1.20 0.00 0.00 173.24 174.18 2brs n ARG 88 N 4.08 -1.60 0.00 5.44 5.12 -1.26 -4.85 116.66 123.59 2brs n ARG 88 Ca 0.15 0.40 0.11 0.00 -1.93 0.00 0.00 57.85 56.58 2brs n ARG 88 Cb 0.37 -4.60 0.58 0.00 -1.16 0.00 0.00 32.46 27.65 2brs n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2brs n GLY 89 N 0.19 -1.08 0.00 -0.13 0.00 -0.35 -4.99 105.19 98.84 2brs n GLY 89 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2brs n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2brs n GLY 90 N 0.71 3.65 0.80 -0.02 0.00 -1.26 -3.21 105.19 105.86 2brs n GLY 90 Ca 0.11 -1.80 0.09 0.00 0.00 0.00 0.00 46.02 44.41 2brs n GLY 90 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2brs n HIS 91 N -1.34 0.28 -4.36 1.61 8.25 -1.21 -4.52 115.22 113.95 2brs n HIS 91 Ca 0.00 -0.20 -0.29 0.00 -0.26 0.00 0.00 57.72 56.97 2brs n HIS 91 Cb 0.00 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 2brs n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2brs s VAL 93 N -1.11 4.25 0.16 0.00 1.01 -0.55 -0.35 120.40 123.81 2brs s VAL 93 Ca 0.17 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 62.02 2brs s VAL 93 Cb -0.10 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2brs s VAL 93 CO 0.09 0.46 -0.22 0.00 0.00 0.00 0.00 175.10 175.44 2brs s ALA 94 N 0.51 2.17 -0.14 5.51 0.00 -0.73 -2.44 121.76 126.65 2brs s ALA 94 Ca -0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 51.96 50.43 2brs s ALA 94 Cb -0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 2brs s ALA 94 CO 0.02 0.36 0.02 -1.17 0.00 0.00 0.00 175.76 174.99 2brs s LEU 95 N -2.42 3.60 -0.00 0.00 0.20 0.65 -0.96 118.68 119.74 2brs s LEU 95 Ca 0.15 0.06 -0.29 0.00 0.69 0.00 0.00 54.13 54.74 2brs s LEU 95 Cb -0.08 -1.87 -0.03 0.00 -0.43 0.00 0.00 46.19 43.78 2brs s LEU 95 CO 0.07 0.25 0.93 0.00 -0.29 0.00 0.00 176.35 177.30 2brs h THR 97 N 4.73 0.19 -3.59 0.00 1.35 -1.58 -2.32 112.91 111.68 2brs h THR 97 Ca -0.41 -0.01 -0.68 0.00 -0.55 0.00 0.00 66.41 64.76 2brs h THR 97 Cb 1.22 1.01 -0.28 0.00 -1.73 0.00 0.00 68.15 68.36 2brs h THR 97 CO 0.75 0.00 -0.66 -0.13 -0.25 0.00 0.00 175.52 175.23 2brs s ARG 98 N -4.31 2.94 0.00 4.72 1.81 -1.26 -4.36 118.95 118.48 2brs s ARG 98 Ca -0.05 -0.94 0.00 0.00 -1.72 0.00 0.00 55.73 53.02 2brs s ARG 98 Cb 0.14 -3.26 0.00 0.00 -0.45 0.00 0.00 34.95 31.37 2brs s ARG 98 CO 0.46 -0.46 0.00 0.41 -0.68 0.00 0.00 175.30 175.03 2brs n GLY 99 N 4.79 3.13 2.12 -3.53 0.00 -1.26 -4.29 105.19 106.15 2brs n GLY 99 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 2brs n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2brs n GLY 100 N -1.53 0.70 3.80 -0.02 0.00 -0.87 -5.03 105.19 102.24 2brs n GLY 100 Ca 0.00 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 2brs n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2brs s TYR 101 N -2.15 3.27 0.05 1.61 1.51 -1.26 -4.57 117.35 115.82 2brs s TYR 101 Ca 0.00 1.63 -0.12 0.00 -1.01 0.00 0.00 57.07 57.57 2brs s TYR 101 Cb 0.00 -2.95 -0.06 0.00 -0.11 0.00 0.00 41.96 38.84 2brs s TYR 101 CO 0.00 -0.33 0.41 -1.58 -1.11 0.00 0.00 175.55 172.94 2brs s TRP 102 N -1.99 3.64 0.01 2.71 0.52 -0.63 0.67 118.94 123.87 2brs s TRP 102 Ca 0.61 0.89 -0.02 0.00 0.02 0.00 0.00 56.10 57.61 2brs s TRP 102 Cb -0.14 -2.22 -0.01 0.00 -1.15 0.00 0.00 33.47 29.95 2brs s TRP 102 CO 0.18 0.56 0.01 0.50 0.02 0.00 0.00 176.95 178.22 2brs s ARG 103 N -1.60 0.30 0.38 4.98 3.52 -0.13 -1.62 118.95 124.77 2brs s ARG 103 Ca 0.30 -0.46 -0.24 0.00 -0.13 0.00 0.00 55.73 55.20 2brs s ARG 103 Cb -0.15 0.11 -0.09 0.00 -1.56 0.00 0.00 34.95 33.26 2brs s ARG 103 CO 0.16 -0.05 1.03 1.03 -0.81 0.00 0.00 175.30 176.66 2brs s ARG 104 N -1.19 4.26 0.02 5.12 0.52 -1.26 -1.77 118.95 124.64 2brs s ARG 104 Ca -0.13 1.47 -0.13 0.00 -0.52 0.00 0.00 55.73 56.42 2brs s ARG 104 Cb -0.08 -2.59 0.02 0.00 0.52 0.00 0.00 34.95 32.82 2brs s ARG 104 CO -0.00 -0.05 0.27 0.00 0.02 0.00 0.00 175.30 175.54 2brs s ALA 105 N -1.67 -0.63 -0.01 2.13 0.00 0.53 -4.77 121.76 117.33 2brs s ALA 105 Ca 0.56 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.27 2brs s ALA 105 Cb -0.21 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 2brs s ALA 105 CO 0.26 -0.34 1.34 -1.01 0.00 0.00 0.00 175.76 176.02 2brs s HIS 106 N -2.07 2.96 0.53 0.00 3.76 -1.25 -1.91 115.29 117.32 2brs s HIS 106 Ca -0.09 0.94 0.28 0.00 -0.15 0.00 0.00 55.06 56.04 2brs s HIS 106 Cb -0.03 -3.59 1.43 0.00 1.11 0.00 0.00 32.58 31.50 2brs s HIS 106 CO -0.01 -2.11 1.94 0.00 -0.85 0.00 0.00 174.74 173.71 2brs n LEU 108 N -4.33 0.54 -4.79 0.00 4.77 -1.26 -1.53 117.00 110.41 2brs n LEU 108 Ca 0.14 -0.23 -0.37 0.00 -0.03 0.00 0.00 56.01 55.53 2brs n LEU 108 Cb 0.78 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.77 2brs n LEU 108 CO 0.38 0.11 0.55 -0.60 -1.33 0.00 0.00 177.39 176.50 2brs s ARG 109 N -1.93 4.48 -0.18 3.23 3.52 -0.54 -4.79 118.95 122.73 2brs s ARG 109 Ca 0.29 1.15 -0.18 0.00 -0.13 0.00 0.00 55.73 56.86 2brs s ARG 109 Cb 0.14 -2.91 -0.03 0.00 -1.56 0.00 0.00 34.95 30.59 2brs s ARG 109 CO 0.23 0.37 0.51 1.03 -0.81 0.00 0.00 175.30 176.62 2brs s ARG 110 N -1.87 4.22 0.20 5.12 0.52 -1.26 -3.96 118.95 121.92 2brs s ARG 110 Ca 0.45 0.42 -0.08 0.00 -0.52 0.00 0.00 55.73 56.00 2brs s ARG 110 Cb -0.19 -3.53 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 2brs s ARG 110 CO 0.23 -0.08 0.30 -0.51 0.02 0.00 0.00 175.30 175.27 2brs s LEU 111 N 1.40 0.84 0.89 2.53 1.43 -0.58 -4.66 118.68 120.51 2brs s LEU 111 Ca 0.24 -1.04 -0.13 0.00 -1.03 0.00 0.00 54.13 52.18 2brs s LEU 111 Cb -0.15 1.13 0.13 0.00 0.03 0.00 0.00 46.19 47.33 2brs s LEU 111 CO 0.10 -0.95 1.17 -2.84 0.23 0.00 0.00 176.35 174.05 2brs s PRO 112 N -4.04 1.34 0.22 1.29 0.02 -1.26 -1.16 135.00 131.41 2brs s PRO 112 Ca 0.25 0.15 -0.18 0.00 0.02 0.00 0.00 61.00 61.24 2brs s PRO 112 Cb 0.03 -1.87 0.03 0.00 0.02 0.00 0.00 34.50 32.70 2brs s PRO 112 CO 0.06 -2.03 0.57 -0.59 -0.33 0.00 0.00 177.00 174.68 2brs s PHE 113 N -3.43 -0.11 -0.19 6.54 -0.71 -1.02 -0.72 117.98 118.34 2brs s PHE 113 Ca 0.64 -0.25 -0.03 0.00 -1.04 0.00 0.00 56.93 56.25 2brs s PHE 113 Cb -0.12 0.45 -0.01 0.00 -1.21 0.00 0.00 43.02 42.13 2brs s PHE 113 CO 0.52 -0.99 -0.06 0.42 -1.34 0.00 0.00 175.22 173.76 2brs s ILE 114 N -3.89 3.41 0.05 -4.49 -1.09 -0.93 -1.28 121.20 112.97 2brs s ILE 114 Ca 0.11 -0.50 0.04 0.00 -2.23 0.00 0.00 60.65 58.06 2brs s ILE 114 Cb -0.02 -2.51 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 2brs s ILE 114 CO 0.00 0.46 -0.04 0.00 -1.23 0.00 0.00 174.94 174.13 2brs s SER 116 N -1.84 4.80 0.00 0.00 1.04 -0.27 0.49 113.70 117.93 2brs s SER 116 Ca 0.21 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2brs s SER 116 Cb -0.11 -0.81 0.00 0.00 0.10 0.00 0.00 66.02 65.20 2brs s SER 116 CO 0.12 -0.26 0.00 0.00 0.98 0.00 0.00 173.24 174.08