#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjg n ARG 12 N 0.00 0.00 -1.98 1.97 1.74 -1.26 -5.12 116.66 112.01 1fjg n ARG 12 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1fjg n ARG 12 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1fjg n ARG 12 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1fjg n GLN 13 N -0.26 -2.75 -0.02 5.56 1.13 -0.28 -5.01 117.38 115.73 1fjg n GLN 13 Ca 0.00 2.26 0.01 0.00 -1.94 0.00 0.00 57.00 57.33 1fjg n GLN 13 Cb 0.00 -3.15 -0.09 0.00 0.11 0.00 0.00 30.24 27.12 1fjg n GLN 13 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1fjg n VAL 14 N 1.00 0.30 0.00 5.09 0.31 -1.03 -4.97 118.33 119.02 1fjg n VAL 14 Ca -0.15 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1fjg n VAL 14 Cb 0.23 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1fjg n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fjg n ALA 15 N -2.10 0.00 -2.56 3.52 0.00 -1.20 -4.70 120.51 113.47 1fjg n ALA 15 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 1fjg n ALA 15 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 1fjg n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1fjg s SER 16 N -1.74 4.24 0.00 0.00 1.04 -1.26 0.26 113.70 116.25 1fjg s SER 16 Ca 0.00 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1fjg s SER 16 Cb 0.00 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.40 1fjg s SER 16 CO 0.00 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1fjg n GLY 17 N 0.15 1.45 3.59 7.32 0.00 0.74 -4.17 105.19 114.26 1fjg n GLY 17 Ca -0.11 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 1fjg n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fjg s ARG 18 N 0.05 2.34 -0.45 1.61 0.52 0.93 -0.45 118.95 123.50 1fjg s ARG 18 Ca 0.00 -0.88 0.03 0.00 -0.52 0.00 0.00 55.73 54.36 1fjg s ARG 18 Cb 0.00 -2.40 0.12 0.00 0.52 0.00 0.00 34.95 33.19 1fjg s ARG 18 CO 0.00 0.55 0.19 0.00 0.02 0.00 0.00 175.30 176.06 1fjg s ALA 19 N -1.12 2.86 -0.16 2.13 0.00 0.28 0.11 121.76 125.88 1fjg s ALA 19 Ca 0.20 -2.86 -0.27 0.00 0.00 0.00 0.00 51.96 49.03 1fjg s ALA 19 Cb -0.11 -2.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.97 1fjg s ALA 19 CO 0.11 -1.92 0.92 0.71 0.00 0.00 0.00 175.76 175.58 1fjg s TYR 20 N 0.25 3.44 -0.26 0.00 1.51 -0.69 -1.09 117.35 120.51 1fjg s TYR 20 Ca 0.15 1.41 -0.05 0.00 -1.01 0.00 0.00 57.07 57.57 1fjg s TYR 20 Cb -0.23 -3.11 0.01 0.00 -0.11 0.00 0.00 41.96 38.51 1fjg s TYR 20 CO -0.04 -0.27 0.00 0.42 -1.11 0.00 0.00 175.55 174.56 1fjg s ILE 21 N 2.26 3.51 -1.08 2.71 1.01 -0.49 -1.16 121.20 127.95 1fjg s ILE 21 Ca 0.43 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 1fjg s ILE 21 Cb -0.17 -2.73 0.28 0.00 0.01 0.00 0.00 42.46 39.85 1fjg s ILE 21 CO 0.13 0.23 1.17 1.57 0.00 0.00 0.00 174.94 178.03 1fjg n HIS 22 N 4.79 4.46 -2.25 3.97 -0.00 0.40 -0.71 115.22 125.88 1fjg n HIS 22 Ca -0.16 -3.63 -0.32 0.00 -0.00 0.00 0.00 57.72 53.60 1fjg n HIS 22 Cb 0.49 -1.53 -0.02 0.00 -0.00 0.00 0.00 29.99 28.93 1fjg n HIS 22 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1fjg s ALA 23 N -1.68 2.92 -0.07 1.57 0.00 -0.72 -1.83 121.76 121.95 1fjg s ALA 23 Ca 0.31 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.24 1fjg s ALA 23 Cb -0.06 -3.17 0.12 0.00 0.00 0.00 0.00 23.12 20.01 1fjg s ALA 23 CO -0.04 -0.48 1.07 -1.54 0.00 0.00 0.00 175.76 174.77 1fjg s SER 24 N -2.92 -0.22 0.00 0.00 1.04 -1.25 -4.20 113.70 106.15 1fjg s SER 24 Ca 0.61 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1fjg s SER 24 Cb -0.13 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1fjg s SER 24 CO 0.33 -0.45 0.72 -1.22 0.98 0.00 0.00 173.24 173.61 1fjg n TYR 25 N -0.22 0.00 -0.50 5.02 0.53 -1.24 -2.93 117.16 117.81 1fjg n TYR 25 Ca -0.05 -0.34 0.00 0.00 -1.02 0.00 0.00 57.90 56.49 1fjg n TYR 25 Cb 0.60 -0.20 0.00 0.00 -1.03 0.00 0.00 39.34 38.71 1fjg n TYR 25 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1fjg n ASN 26 N 0.57 0.00 0.00 7.72 2.85 -1.26 -5.00 115.26 120.13 1fjg n ASN 26 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1fjg n ASN 26 Cb 0.36 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.38 1fjg n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1fjg n ASN 27 N 0.00 0.00 0.00 1.20 4.05 -1.15 -3.63 115.26 115.73 1fjg n ASN 27 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1fjg n ASN 27 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1fjg n ASN 27 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1fjg n THR 28 N -0.66 0.00 -3.84 -0.44 -1.04 -1.25 -4.09 114.28 102.97 1fjg n THR 28 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1fjg n THR 28 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 1fjg n THR 28 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1fjg s ILE 29 N 0.00 -0.00 -0.09 12.58 2.07 -0.76 -3.11 121.20 131.88 1fjg s ILE 29 Ca 0.00 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.26 1fjg s ILE 29 Cb 0.00 -0.14 -0.02 0.00 0.13 0.00 0.00 42.46 42.43 1fjg s ILE 29 CO 0.00 0.00 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.19 1fjg s VAL 30 N 0.07 2.94 -0.25 4.00 1.01 -1.05 -0.45 120.40 126.66 1fjg s VAL 30 Ca -0.00 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1fjg s VAL 30 Cb -0.01 -2.19 0.07 0.00 0.00 0.00 0.00 36.38 34.25 1fjg s VAL 30 CO 0.00 0.55 -0.02 -0.89 0.00 0.00 0.00 175.10 174.74 1fjg s THR 31 N -0.07 1.45 0.30 3.92 2.01 -0.30 -1.19 115.64 121.75 1fjg s THR 31 Ca -0.03 -1.29 -0.24 0.00 0.31 0.00 0.00 61.69 60.45 1fjg s THR 31 Cb -0.14 -1.81 -0.09 0.00 0.01 0.00 0.00 72.50 70.47 1fjg s THR 31 CO 0.04 -0.21 0.87 -0.63 -0.69 0.00 0.00 174.62 174.00 1fjg s ILE 32 N 1.41 4.34 0.22 1.82 -1.09 -0.45 -1.71 121.20 125.73 1fjg s ILE 32 Ca -0.02 1.62 -0.04 0.00 -2.23 0.00 0.00 60.65 59.97 1fjg s ILE 32 Cb -0.19 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.73 1fjg s ILE 32 CO -0.08 0.14 0.23 0.28 -1.23 0.00 0.00 174.94 174.28 1fjg s THR 33 N -1.62 0.00 0.58 2.92 -1.32 0.31 -1.03 115.64 115.49 1fjg s THR 33 Ca 0.48 -1.83 -0.06 0.00 -1.21 0.00 0.00 61.69 59.08 1fjg s THR 33 Cb -0.17 -2.41 0.01 0.00 -1.51 0.00 0.00 72.50 68.41 1fjg s THR 33 CO 0.22 0.00 0.89 1.51 -2.21 0.00 0.00 174.62 175.03 1fjg s ASP 34 N -3.12 5.62 0.00 8.08 -4.77 -0.74 -0.05 116.67 121.69 1fjg s ASP 34 Ca 0.34 0.70 0.00 0.00 -3.30 0.00 0.00 52.55 50.29 1fjg s ASP 34 Cb 0.05 -1.71 0.00 0.00 -1.09 0.00 0.00 42.92 40.17 1fjg s ASP 34 CO 0.11 -1.03 0.09 -2.65 0.70 0.00 0.00 175.17 172.39 1fjg n PRO 35 N -2.55 0.00 0.00 2.11 -0.02 -1.26 0.20 135.00 133.48 1fjg n PRO 35 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1fjg n PRO 35 Cb 0.57 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 1fjg n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1fjg n ASP 36 N -0.49 0.44 0.00 2.55 9.92 -1.26 -5.01 116.55 122.70 1fjg n ASP 36 Ca 0.00 -0.72 0.00 0.00 -0.53 0.00 0.00 54.79 53.54 1fjg n ASP 36 Cb 0.00 0.51 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 1fjg n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fjg n GLY 37 N 0.51 0.19 3.66 0.44 0.00 0.13 -5.05 105.19 105.07 1fjg n GLY 37 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1fjg n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fjg s ASN 38 N -2.03 6.84 0.19 1.61 -0.87 -1.26 -4.72 114.94 114.69 1fjg s ASN 38 Ca 0.00 1.88 -0.33 0.00 -1.57 0.00 0.00 52.86 52.84 1fjg s ASN 38 Cb 0.00 -2.54 -0.13 0.00 -0.02 0.00 0.00 41.25 38.57 1fjg s ASN 38 CO 0.00 -0.83 1.67 -0.81 -2.57 0.00 0.00 177.10 174.56 1fjg n PRO 39 N 6.81 2.52 -0.05 -0.60 -0.04 -1.26 -1.79 135.00 140.60 1fjg n PRO 39 Ca 0.15 0.91 -0.03 0.00 -0.04 0.00 0.00 63.50 64.49 1fjg n PRO 39 Cb 0.44 -2.73 -0.01 0.00 -0.04 0.00 0.00 33.50 31.16 1fjg n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1fjg n ILE 40 N 3.77 0.92 -4.32 0.52 5.41 -0.19 -4.91 119.36 120.55 1fjg n ILE 40 Ca 0.16 0.31 -0.17 0.00 1.00 0.00 0.00 62.75 64.06 1fjg n ILE 40 Cb 0.32 -2.08 -0.10 0.00 -0.71 0.00 0.00 39.64 37.08 1fjg n ILE 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1fjg s THR 41 N -1.84 0.52 0.13 1.39 -4.23 -1.20 -5.03 115.64 105.37 1fjg s THR 41 Ca -0.10 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.17 1fjg s THR 41 Cb 0.01 -2.62 0.07 0.00 1.34 0.00 0.00 72.50 71.31 1fjg s THR 41 CO 0.15 0.00 0.60 -1.66 -0.54 0.00 0.00 174.62 173.17 1fjg s TRP 42 N -3.73 -0.54 0.12 3.99 1.48 -1.26 -1.35 118.94 117.66 1fjg s TRP 42 Ca 0.37 0.41 -0.00 0.00 -1.06 0.00 0.00 56.10 55.82 1fjg s TRP 42 Cb 0.07 0.52 0.00 0.00 -1.16 0.00 0.00 33.47 32.91 1fjg s TRP 42 CO 0.14 -0.81 0.16 0.45 -4.06 0.00 0.00 176.95 172.84 1fjg n SER 43 N -0.19 -0.46 0.00 -2.66 2.88 -0.33 -4.78 113.62 108.09 1fjg n SER 43 Ca -0.17 -1.68 0.00 0.00 -1.33 0.00 0.00 58.87 55.69 1fjg n SER 43 Cb 0.64 0.86 0.00 0.00 -0.75 0.00 0.00 64.21 64.96 1fjg n SER 43 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1fjg n SER 44 N -2.02 0.00 -0.32 -3.46 3.41 -1.26 -2.54 113.62 107.43 1fjg n SER 44 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1fjg n SER 44 Cb 0.21 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.45 1fjg n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1fjg h GLY 45 N 0.00 1.47 1.15 5.00 0.00 -1.67 -1.55 103.07 107.46 1fjg h GLY 45 Ca 0.00 -0.38 -0.22 0.00 0.00 0.00 0.00 47.33 46.73 1fjg h GLY 45 CO 0.00 0.14 -0.79 -1.33 0.00 0.00 0.00 176.54 174.56 1fjg h GLY 46 N 0.89 0.83 0.41 4.60 0.00 -1.88 -3.16 103.07 104.77 1fjg h GLY 46 Ca 0.47 -1.23 0.15 0.00 0.00 0.00 0.00 47.33 46.72 1fjg h GLY 46 CO -0.24 1.09 0.61 -2.08 0.00 0.00 0.00 176.54 175.92 1fjg h VAL 47 N 0.47 0.83 -3.40 4.60 2.07 -1.59 -3.40 116.25 115.83 1fjg h VAL 47 Ca -0.06 -0.28 -0.34 0.00 0.82 0.00 0.00 66.70 66.84 1fjg h VAL 47 Cb 1.43 -0.05 0.14 0.00 -1.52 0.00 0.00 31.29 31.29 1fjg h VAL 47 CO 0.16 0.15 0.31 -0.38 0.02 0.00 0.00 177.57 177.83 1fjg n ILE 48 N -4.62 0.00 -0.22 4.57 5.41 -0.80 -4.94 119.36 118.76 1fjg n ILE 48 Ca 0.19 -0.73 0.03 0.00 1.00 0.00 0.00 62.75 63.24 1fjg n ILE 48 Cb 0.46 -1.57 0.13 0.00 -0.71 0.00 0.00 39.64 37.95 1fjg n ILE 48 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1fjg h GLY 49 N -1.47 0.81 -4.45 7.39 0.00 -1.76 -3.46 103.07 100.13 1fjg h GLY 49 Ca -0.34 0.02 -0.60 0.00 0.00 0.00 0.00 47.33 46.41 1fjg h GLY 49 CO 0.24 -0.19 -0.53 -1.72 0.00 0.00 0.00 176.54 174.34 1fjg n TYR 50 N -5.21 -0.62 -0.03 5.60 0.53 -1.22 -4.96 117.16 111.25 1fjg n TYR 50 Ca 0.11 0.84 -0.04 0.00 -1.02 0.00 0.00 57.90 57.78 1fjg n TYR 50 Cb 0.39 -1.75 -0.02 0.00 -1.03 0.00 0.00 39.34 36.93 1fjg n TYR 50 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 1fjg n LYS 51 N 0.94 0.12 0.00 -0.72 5.02 -1.26 -4.06 118.16 118.19 1fjg n LYS 51 Ca 0.16 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1fjg n LYS 51 Cb 0.24 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 1fjg n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fjg n GLY 52 N 3.01 1.55 0.23 0.72 0.00 -1.26 -4.83 105.19 104.61 1fjg n GLY 52 Ca -0.09 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1fjg n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1fjg h SER 53 N 0.00 -0.52 -1.43 1.61 0.87 -1.99 -2.18 113.55 109.90 1fjg h SER 53 Ca 0.00 0.06 0.42 0.00 -1.23 0.00 0.00 61.79 61.04 1fjg h SER 53 Cb 0.00 0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.10 1fjg h SER 53 CO 0.00 -0.26 1.02 0.03 -0.53 0.00 0.00 176.83 177.09 1fjg h ARG 54 N -0.35 0.02 -0.88 2.24 2.47 -1.97 -1.78 114.38 114.14 1fjg h ARG 54 Ca 0.03 -0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.91 1fjg h ARG 54 Cb 0.38 -0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.59 1fjg h ARG 54 CO -0.11 0.01 0.46 -0.22 0.56 0.00 0.00 179.97 180.68 1fjg h LYS 55 N 0.02 0.61 -0.00 0.04 3.64 -1.71 -2.00 116.57 117.18 1fjg h LYS 55 Ca 0.69 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.04 1fjg h LYS 55 Cb 2.72 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 34.40 1fjg h LYS 55 CO -0.04 0.40 -0.01 0.41 -2.27 0.00 0.00 179.45 177.94 1fjg n GLY 56 N -1.33 -1.19 3.72 5.01 0.00 -0.67 -4.51 105.19 106.23 1fjg n GLY 56 Ca 0.19 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1fjg n GLY 56 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fjg s THR 57 N -2.46 2.24 0.48 2.61 -1.32 -0.75 -4.50 115.64 111.95 1fjg s THR 57 Ca 0.32 0.12 0.28 0.00 -1.21 0.00 0.00 61.69 61.20 1fjg s THR 57 Cb 0.21 -2.70 0.31 0.00 -1.51 0.00 0.00 72.50 68.81 1fjg s THR 57 CO 0.45 -0.06 2.14 1.55 -2.21 0.00 0.00 174.62 176.49 1fjg h PRO 58 N -0.32 0.00 -0.07 7.08 0.13 -1.90 -2.60 132.00 134.32 1fjg h PRO 58 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 1fjg h PRO 58 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1fjg h PRO 58 CO 0.49 0.08 -0.19 -0.92 -0.23 0.00 0.00 178.00 177.23 1fjg h TYR 59 N 0.00 0.33 0.00 1.56 3.20 -1.92 -1.48 116.97 118.67 1fjg h TYR 59 Ca -0.00 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1fjg h TYR 59 Cb 0.21 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1fjg h TYR 59 CO 0.00 0.80 0.01 0.00 -1.64 0.00 0.00 178.16 177.33 1fjg n ALA 60 N -2.46 1.04 -0.07 1.82 0.00 -1.00 -0.31 120.51 119.52 1fjg n ALA 60 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1fjg n ALA 60 Cb 0.41 -0.98 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 1fjg n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjg n ALA 61 N -1.43 1.07 -0.13 0.00 0.00 -0.91 -3.23 120.51 115.87 1fjg n ALA 61 Ca 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 53.44 52.59 1fjg n ALA 61 Cb 0.01 -0.38 0.03 0.00 0.00 0.00 0.00 19.45 19.10 1fjg n ALA 61 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1fjg h GLN 62 N -0.28 0.43 -0.51 0.00 4.15 0.38 0.98 115.11 120.26 1fjg h GLN 62 Ca -0.50 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 58.84 1fjg h GLN 62 Cb 1.82 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 29.39 1fjg h GLN 62 CO -0.08 0.28 0.10 -0.07 -1.93 0.00 0.00 178.83 177.13 1fjg h LEU 63 N 0.44 0.80 -1.23 -2.39 3.38 -1.38 -1.54 115.31 113.39 1fjg h LEU 63 Ca 0.18 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1fjg h LEU 63 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1fjg h LEU 63 CO -0.12 0.84 -0.05 0.00 0.09 0.00 0.00 178.44 179.20 1fjg h ALA 64 N 0.98 1.36 0.34 1.53 0.00 -1.39 -0.72 119.26 121.36 1fjg h ALA 64 Ca 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1fjg h ALA 64 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1fjg h ALA 64 CO 0.01 0.44 -0.16 0.00 0.00 0.00 0.00 179.25 179.53 1fjg h ALA 65 N 1.51 -0.45 -0.65 0.00 0.00 -0.48 -0.92 119.26 118.26 1fjg h ALA 65 Ca 0.09 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1fjg h ALA 65 Cb 0.38 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1fjg h ALA 65 CO 0.02 -0.54 0.33 -0.07 0.00 0.00 0.00 179.25 178.98 1fjg h LEU 66 N -0.87 0.45 0.67 0.00 3.38 -1.21 0.13 115.31 117.87 1fjg h LEU 66 Ca -0.05 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1fjg h LEU 66 Cb 0.53 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1fjg h LEU 66 CO 0.08 0.28 -0.40 -0.78 0.09 0.00 0.00 178.44 177.71 1fjg h ASP 67 N 0.59 -1.00 -1.09 -0.43 1.82 -1.14 0.53 116.42 115.71 1fjg h ASP 67 Ca 0.31 0.05 0.31 0.00 -0.39 0.00 0.00 57.03 57.31 1fjg h ASP 67 Cb 0.27 0.29 -0.11 0.00 0.68 0.00 0.00 39.33 40.46 1fjg h ASP 67 CO -0.22 -0.62 0.69 0.00 -1.61 0.00 0.00 179.24 177.47 1fjg h ALA 68 N -1.34 2.26 -0.07 -0.78 0.00 -0.81 0.20 119.26 118.73 1fjg h ALA 68 Ca -0.09 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1fjg h ALA 68 Cb 0.80 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1fjg h ALA 68 CO 0.10 -0.75 -0.03 0.00 0.00 0.00 0.00 179.25 178.57 1fjg h ALA 69 N 1.65 0.09 0.25 0.00 0.00 0.23 -2.29 119.26 119.20 1fjg h ALA 69 Ca 0.66 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1fjg h ALA 69 Cb 1.72 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 1fjg h ALA 69 CO -0.37 -0.15 -0.43 0.87 0.00 0.00 0.00 179.25 179.16 1fjg h LYS 70 N -0.25 -0.70 -1.21 0.00 1.57 0.31 0.20 116.57 116.50 1fjg h LYS 70 Ca 0.01 0.05 0.35 0.00 -1.87 0.00 0.00 60.65 59.19 1fjg h LYS 70 Cb 0.48 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.88 1fjg h LYS 70 CO 0.01 -0.47 0.84 0.87 -0.57 0.00 0.00 179.45 180.14 1fjg h LYS 71 N -0.73 0.10 -0.17 3.15 1.57 -1.29 0.68 116.57 119.89 1fjg h LYS 71 Ca -0.03 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 1fjg h LYS 71 Cb 0.68 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1fjg h LYS 71 CO -0.15 0.07 -0.60 0.00 -0.57 0.00 0.00 179.45 178.20 1fjg h ALA 72 N 1.45 0.64 0.25 3.86 0.00 -0.11 -3.21 119.26 122.14 1fjg h ALA 72 Ca 0.61 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1fjg h ALA 72 Cb 2.19 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.91 1fjg h ALA 72 CO -0.11 0.70 -0.15 0.52 0.00 0.00 0.00 179.25 180.21 1fjg h MET 73 N 0.42 -0.37 -0.23 0.00 2.86 0.27 -1.83 114.93 116.04 1fjg h MET 73 Ca -0.00 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1fjg h MET 73 Cb 1.16 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 1fjg h MET 73 CO 0.11 -0.25 0.56 0.00 1.06 0.00 0.00 176.91 178.39 1fjg h ALA 74 N 0.35 1.84 -0.00 6.32 0.00 -1.44 1.46 119.26 127.78 1fjg h ALA 74 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1fjg h ALA 74 Cb 0.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1fjg h ALA 74 CO 0.03 -0.67 -0.28 0.66 0.00 0.00 0.00 179.25 178.98 1fjg n TYR 75 N -3.12 0.00 0.00 0.00 4.02 -0.73 -4.91 117.16 112.42 1fjg n TYR 75 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1fjg n TYR 75 Cb 0.66 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 1fjg n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1fjg n GLY 76 N 1.42 0.66 3.58 2.72 0.00 0.50 -1.13 105.19 112.95 1fjg n GLY 76 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1fjg n GLY 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fjg n MET 77 N -1.12 1.29 0.00 1.61 2.81 -0.95 -3.24 117.12 117.52 1fjg n MET 77 Ca 0.00 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 1fjg n MET 77 Cb 0.00 -1.88 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 1fjg n MET 77 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1fjg n GLN 78 N 0.54 0.00 -5.12 0.03 6.02 0.74 -4.49 117.38 115.10 1fjg n GLN 78 Ca 0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.80 1fjg n GLN 78 Cb 0.35 -0.43 -0.16 0.00 1.02 0.00 0.00 30.24 31.02 1fjg n GLN 78 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1fjg s SER 79 N -1.64 2.72 0.05 1.08 0.15 -0.08 -0.48 113.70 115.50 1fjg s SER 79 Ca 0.00 -0.43 -0.04 0.00 0.70 0.00 0.00 55.95 56.18 1fjg s SER 79 Cb 0.00 -0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 63.99 1fjg s SER 79 CO 0.00 0.28 0.04 -0.69 1.20 0.00 0.00 173.24 174.07 1fjg s VAL 80 N -0.57 0.18 -0.18 4.45 1.01 0.51 -0.18 120.40 125.61 1fjg s VAL 80 Ca 0.09 -1.47 0.01 0.00 0.00 0.00 0.00 61.98 60.61 1fjg s VAL 80 Cb -0.09 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1fjg s VAL 80 CO -0.01 -0.81 -0.18 -1.81 0.00 0.00 0.00 175.10 172.29 1fjg s ASP 81 N -2.65 3.15 0.09 3.32 1.11 0.40 0.07 116.67 122.17 1fjg s ASP 81 Ca 0.03 -0.68 -0.21 0.00 0.18 0.00 0.00 52.55 51.86 1fjg s ASP 81 Cb 0.04 -1.42 -0.07 0.00 1.07 0.00 0.00 42.92 42.54 1fjg s ASP 81 CO -0.09 -0.03 0.64 -0.69 1.18 0.00 0.00 175.17 176.19 1fjg s VAL 82 N 1.31 4.66 -0.35 -1.27 1.01 0.36 0.10 120.40 126.22 1fjg s VAL 82 Ca 0.04 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1fjg s VAL 82 Cb -0.14 -3.98 0.11 0.00 0.00 0.00 0.00 36.38 32.37 1fjg s VAL 82 CO -0.12 0.52 0.14 -0.63 0.00 0.00 0.00 175.10 175.00 1fjg s ILE 83 N -0.92 1.14 0.23 2.22 1.01 -0.25 -1.46 121.20 123.15 1fjg s ILE 83 Ca 0.32 -1.83 -0.30 0.00 0.00 0.00 0.00 60.65 58.84 1fjg s ILE 83 Cb -0.20 -1.84 -0.09 0.00 0.01 0.00 0.00 42.46 40.34 1fjg s ILE 83 CO 0.21 -0.74 0.97 -0.69 0.00 0.00 0.00 174.94 174.69 1fjg s VAL 84 N 1.18 4.04 -0.07 2.92 1.01 0.35 -1.40 120.40 128.43 1fjg s VAL 84 Ca 0.12 2.00 -0.03 0.00 0.00 0.00 0.00 61.98 64.07 1fjg s VAL 84 Cb -0.20 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.95 1fjg s VAL 84 CO -0.16 0.45 0.13 -0.13 0.00 0.00 0.00 175.10 175.39 1fjg s ARG 85 N -1.03 0.00 0.00 2.72 0.52 0.11 -1.09 118.95 120.18 1fjg s ARG 85 Ca 0.42 0.48 0.00 0.00 -0.52 0.00 0.00 55.73 56.12 1fjg s ARG 85 Cb -0.27 -0.33 0.00 0.00 0.52 0.00 0.00 34.95 34.87 1fjg s ARG 85 CO 0.33 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.76 1fjg n GLY 86 N 5.18 0.25 3.80 -3.53 0.00 -1.26 -1.75 105.19 107.87 1fjg n GLY 86 Ca -0.07 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 1fjg n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fjg s THR 87 N -2.88 4.88 0.00 2.61 2.01 -1.26 -4.53 115.64 116.47 1fjg s THR 87 Ca 0.00 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.73 1fjg s THR 87 Cb 0.00 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1fjg s THR 87 CO 0.00 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 1fjg n GLY 88 N 1.38 1.91 3.71 4.40 0.00 -1.26 -3.71 105.19 111.62 1fjg n GLY 88 Ca -0.14 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 1fjg n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fjg n ALA 89 N -0.46 0.71 -0.97 4.61 0.00 -1.25 -2.25 120.51 120.89 1fjg n ALA 89 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1fjg n ALA 89 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1fjg n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fjg n GLY 90 N 0.81 0.90 0.01 0.00 0.00 -1.26 -4.38 105.19 101.27 1fjg n GLY 90 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 1fjg n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1fjg h ARG 91 N 2.72 -0.02 0.00 1.61 2.43 -1.83 -1.50 114.38 117.79 1fjg h ARG 91 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1fjg h ARG 91 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1fjg h ARG 91 CO 0.00 -0.01 0.00 1.49 -1.51 0.00 0.00 179.97 179.94 1fjg h GLU 92 N -0.07 0.00 0.06 0.20 4.57 -1.92 -1.90 114.58 115.53 1fjg h GLU 92 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1fjg h GLU 92 Cb 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1fjg h GLU 92 CO 0.00 0.00 -0.03 1.96 -1.18 0.00 0.00 179.01 179.76 1fjg h GLN 93 N 0.00 -0.08 -0.75 1.92 1.08 -1.91 -2.76 115.11 112.61 1fjg h GLN 93 Ca 0.00 0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.37 1fjg h GLN 93 Cb 0.13 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 27.44 1fjg h GLN 93 CO 0.00 0.50 -0.03 0.00 -0.95 0.00 0.00 178.83 178.35 1fjg h ALA 94 N -0.21 0.73 -0.26 3.87 0.00 -0.50 0.39 119.26 123.28 1fjg h ALA 94 Ca -0.01 0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1fjg h ALA 94 Cb 0.61 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1fjg h ALA 94 CO 0.01 -0.42 -0.08 0.82 0.00 0.00 0.00 179.25 179.58 1fjg h ILE 95 N 0.08 0.71 -0.46 0.00 2.04 -1.44 -0.57 117.51 117.88 1fjg h ILE 95 Ca 0.40 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.20 1fjg h ILE 95 Cb 0.70 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1fjg h ILE 95 CO -0.68 0.00 0.02 0.03 0.00 0.00 0.00 178.15 177.52 1fjg h ARG 96 N -0.02 0.74 -0.64 2.37 3.08 -0.39 -0.11 114.38 119.40 1fjg h ARG 96 Ca 0.13 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 60.04 1fjg h ARG 96 Cb 0.21 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 1fjg h ARG 96 CO -0.28 0.74 0.37 0.00 -1.07 0.00 0.00 179.97 179.73 1fjg h ALA 97 N 1.32 0.85 0.22 0.04 0.00 0.62 -2.06 119.26 120.26 1fjg h ALA 97 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1fjg h ALA 97 Cb 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1fjg h ALA 97 CO 0.01 0.08 -0.11 -0.07 0.00 0.00 0.00 179.25 179.16 1fjg h LEU 98 N 0.71 -0.26 -1.04 0.00 3.38 -0.53 -2.97 115.31 114.61 1fjg h LEU 98 Ca 0.28 -0.24 0.38 0.00 0.09 0.00 0.00 57.88 58.39 1fjg h LEU 98 Cb 0.12 0.07 -0.16 0.00 0.09 0.00 0.00 40.66 40.77 1fjg h LEU 98 CO -0.15 0.13 0.58 1.56 0.09 0.00 0.00 178.44 180.65 1fjg h GLN 99 N -0.69 0.14 0.00 1.13 4.20 -0.82 -3.26 115.11 115.81 1fjg h GLN 99 Ca -0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1fjg h GLN 99 Cb 0.48 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1fjg h GLN 99 CO 0.05 0.09 0.00 0.00 -0.67 0.00 0.00 178.83 178.30 1fjg n ALA 100 N -2.30 0.00 -0.17 3.87 0.00 -0.79 -4.74 120.51 116.38 1fjg n ALA 100 Ca 0.35 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.81 1fjg n ALA 100 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.63 1fjg n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1fjg n SER 101 N 0.00 -1.00 -0.62 0.00 3.41 -1.16 -4.00 113.62 110.25 1fjg n SER 101 Ca 0.00 0.09 0.10 0.00 -0.26 0.00 0.00 58.87 58.81 1fjg n SER 101 Cb 0.00 -0.45 0.34 0.00 -0.26 0.00 0.00 64.21 63.84 1fjg n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fjg n GLY 102 N -0.44 0.45 3.92 5.00 0.00 -1.26 -4.88 105.19 107.97 1fjg n GLY 102 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1fjg n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fjg s LEU 103 N -1.52 4.33 -0.18 0.99 1.43 -1.26 -4.82 118.68 117.65 1fjg s LEU 103 Ca 0.32 0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 53.66 1fjg s LEU 103 Cb 0.18 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 1fjg s LEU 103 CO 0.26 0.11 0.07 -1.58 0.23 0.00 0.00 176.35 175.44 1fjg s GLN 104 N -2.74 3.99 -0.63 1.70 0.74 0.37 -4.74 119.66 118.35 1fjg s GLN 104 Ca 0.36 -0.34 -0.20 0.00 0.05 0.00 0.00 55.36 55.24 1fjg s GLN 104 Cb -0.12 -3.23 0.10 0.00 1.10 0.00 0.00 33.01 30.86 1fjg s GLN 104 CO 0.28 0.28 0.80 0.08 -0.55 0.00 0.00 175.29 176.17 1fjg s VAL 105 N 0.37 4.67 0.09 1.34 1.01 -1.26 -0.37 120.40 126.24 1fjg s VAL 105 Ca 0.03 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 1fjg s VAL 105 Cb -0.12 -4.56 -0.12 0.00 0.00 0.00 0.00 36.38 31.57 1fjg s VAL 105 CO -0.00 -1.24 1.69 0.11 0.00 0.00 0.00 175.10 175.66 1fjg h LYS 106 N 9.29 0.11 -3.36 2.72 1.79 -0.75 -3.47 116.57 122.90 1fjg h LYS 106 Ca -0.28 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.14 1fjg h LYS 106 Cb 1.08 -0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 31.58 1fjg h LYS 106 CO 1.12 0.14 -0.04 -1.54 -1.08 0.00 0.00 179.45 178.06 1fjg s SER 107 N -5.34 -0.26 -0.06 0.86 1.04 -1.25 -5.05 113.70 103.63 1fjg s SER 107 Ca -0.13 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.00 1fjg s SER 107 Cb 0.06 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1fjg s SER 107 CO 0.68 -0.90 -0.17 -0.63 0.98 0.00 0.00 173.24 173.20 1fjg s ILE 108 N -3.82 1.50 -0.01 -1.02 1.01 -1.26 -0.49 121.20 117.11 1fjg s ILE 108 Ca 0.04 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1fjg s ILE 108 Cb 0.01 -1.31 0.02 0.00 0.01 0.00 0.00 42.46 41.19 1fjg s ILE 108 CO -0.10 0.43 0.01 -0.69 0.00 0.00 0.00 174.94 174.59 1fjg s VAL 109 N 0.29 0.03 -0.26 2.92 1.01 -0.53 -5.00 120.40 118.86 1fjg s VAL 109 Ca -0.10 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 1fjg s VAL 109 Cb -0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 1fjg s VAL 109 CO 0.04 0.07 0.56 -0.62 0.00 0.00 0.00 175.10 175.15 1fjg s ASP 110 N 0.63 6.49 -0.19 3.32 -1.08 -1.26 -0.50 116.67 124.07 1fjg s ASP 110 Ca -0.05 0.58 0.18 0.00 -0.52 0.00 0.00 52.55 52.74 1fjg s ASP 110 Cb -0.08 -2.30 0.46 0.00 -1.46 0.00 0.00 42.92 39.54 1fjg s ASP 110 CO -0.02 -0.32 1.16 -0.67 0.52 0.00 0.00 175.17 175.85 1fjg n ASP 111 N 5.61 2.22 -4.75 -0.34 2.03 -0.25 -4.95 116.55 116.12 1fjg n ASP 111 Ca -0.03 -2.76 -0.41 0.00 0.52 0.00 0.00 54.79 52.11 1fjg n ASP 111 Cb 0.49 -0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 40.46 1fjg n ASP 111 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1fjg s THR 112 N -2.88 2.43 0.24 5.18 2.01 -1.24 -4.84 115.64 116.53 1fjg s THR 112 Ca 0.36 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.43 1fjg s THR 112 Cb 0.37 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 69.56 1fjg s THR 112 CO -0.06 0.06 1.12 -2.16 -0.69 0.00 0.00 174.62 172.89 1fjg s PRO 113 N -0.48 4.60 -0.03 4.92 0.04 -1.26 -4.95 135.00 137.84 1fjg s PRO 113 Ca 0.60 1.80 -0.01 0.00 0.04 0.00 0.00 61.00 63.44 1fjg s PRO 113 Cb -0.44 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 30.91 1fjg s PRO 113 CO 0.46 0.13 0.05 0.54 0.04 0.00 0.00 177.00 178.21 1fjg s VAL 114 N -0.76 -0.08 0.40 -0.36 0.11 -1.26 -5.02 120.40 113.42 1fjg s VAL 114 Ca 0.47 0.30 -0.24 0.00 -2.93 0.00 0.00 61.98 59.58 1fjg s VAL 114 Cb -0.32 -0.12 -0.09 0.00 -1.53 0.00 0.00 36.38 34.33 1fjg s VAL 114 CO 0.39 0.12 1.07 -2.84 -3.33 0.00 0.00 175.10 170.52 1fjg s PRO 115 N 1.51 4.13 -0.58 1.54 0.02 -1.26 -4.89 135.00 135.47 1fjg s PRO 115 Ca -0.04 1.58 -0.04 0.00 0.02 0.00 0.00 61.00 62.53 1fjg s PRO 115 Cb -0.13 -2.57 0.10 0.00 0.02 0.00 0.00 34.50 31.93 1fjg s PRO 115 CO -0.03 -0.19 2.64 0.72 -0.33 0.00 0.00 177.00 179.81 1fjg n HIS 116 N -0.05 1.86 -2.69 6.54 8.25 -1.26 -4.75 115.22 123.12 1fjg n HIS 116 Ca 0.05 -2.07 -0.01 0.00 -0.26 0.00 0.00 57.72 55.43 1fjg n HIS 116 Cb 0.49 -1.40 -0.01 0.00 1.12 0.00 0.00 29.99 30.19 1fjg n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1fjg n ASN 117 N 0.78 -6.43 0.09 0.41 5.03 -1.26 -5.06 115.26 108.81 1fjg n ASN 117 Ca 0.51 1.42 0.00 0.00 0.87 0.00 0.00 54.58 57.38 1fjg n ASN 117 Cb 0.48 -5.33 0.00 0.00 -1.02 0.00 0.00 39.78 33.92 1fjg n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1fjg n GLY 118 N 0.91 -0.16 3.75 7.41 0.00 -1.26 -5.09 105.19 110.75 1fjg n GLY 118 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1fjg n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fjg s ARG 120 N -0.87 4.11 0.78 0.00 3.52 -1.26 -4.98 118.95 120.26 1fjg s ARG 120 Ca 0.13 2.20 -0.11 0.00 -0.13 0.00 0.00 55.73 57.83 1fjg s ARG 120 Cb -0.12 -4.03 0.06 0.00 -1.56 0.00 0.00 34.95 29.31 1fjg s ARG 120 CO 0.03 -0.94 1.10 -1.25 -0.81 0.00 0.00 175.30 173.43 1fjg s PRO 121 N 4.22 2.13 0.75 5.12 0.04 -1.26 -4.99 135.00 141.02 1fjg s PRO 121 Ca 0.76 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 1fjg s PRO 121 Cb -0.34 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.37 1fjg s PRO 121 CO 0.31 -1.75 1.08 -1.59 0.04 0.00 0.00 177.00 175.10 1fjg s LYS 122 N -4.78 2.45 0.25 4.56 -2.85 -1.26 -4.67 119.74 113.45 1fjg s LYS 122 Ca 0.63 1.12 -0.13 0.00 -1.00 0.00 0.00 55.97 56.59 1fjg s LYS 122 Cb -0.18 -1.92 0.34 0.00 -2.06 0.00 0.00 37.83 34.01 1fjg s LYS 122 CO 0.55 -1.49 1.53 1.17 0.10 0.00 0.00 175.35 177.21 1fjg n LYS 123 N -3.37 -0.16 -0.24 1.78 4.81 -1.26 -0.20 118.16 119.51 1fjg n LYS 123 Ca 0.09 1.53 0.15 0.00 -0.87 0.00 0.00 58.31 59.21 1fjg n LYS 123 Cb 0.53 -2.27 0.29 0.00 0.02 0.00 0.00 35.03 33.60 1fjg n LYS 123 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1fjg n LYS 124 N -5.53 -0.05 -0.13 1.64 4.76 -1.26 -0.80 118.16 116.79 1fjg n LYS 124 Ca 0.13 1.06 0.06 0.00 -2.87 0.00 0.00 58.31 56.68 1fjg n LYS 124 Cb 0.44 -1.75 0.13 0.00 -1.84 0.00 0.00 35.03 32.01 1fjg n LYS 124 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1fjg n PHE 125 N -4.87 0.35 -1.52 2.13 3.01 0.72 -5.02 117.46 112.26 1fjg n PHE 125 Ca 0.21 -0.35 -0.29 0.00 1.01 0.00 0.00 57.45 58.03 1fjg n PHE 125 Cb 0.70 -0.02 0.15 0.00 -0.01 0.00 0.00 39.48 40.30 1fjg n PHE 125 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1fjg s ARG 126 N -1.00 0.79 0.00 -1.08 0.52 0.02 -4.86 118.95 113.34 1fjg s ARG 126 Ca 0.22 0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.60 1fjg s ARG 126 Cb 0.12 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.78 1fjg s ARG 126 CO 0.16 -2.41 0.00 1.63 0.02 0.00 0.00 175.30 174.70 1fjg n LYS 127 N -3.89 -0.20 0.00 3.54 4.76 -1.26 -5.05 118.16 116.06 1fjg n LYS 127 Ca 0.08 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.15 1fjg n LYS 127 Cb 0.59 -0.66 0.00 0.00 -1.84 0.00 0.00 35.03 33.12 1fjg n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fjg n ALA 128 N 0.07 0.00 -0.37 7.82 0.00 -1.26 -5.22 120.51 121.55 1fjg n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fjg n ALA 128 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1fjg n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37