#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1x s ASN 2 N 0.00 6.20 -0.46 6.12 2.47 -1.26 -5.08 114.94 122.93 2k1x s ASN 2 Ca 0.00 0.45 0.07 0.00 0.42 0.00 0.00 52.86 53.80 2k1x s ASN 2 Cb 0.00 -1.94 0.19 0.00 -1.45 0.00 0.00 41.25 38.04 2k1x s ASN 2 CO 0.00 -0.40 0.70 0.00 -3.72 0.00 0.00 177.10 173.69 2k1x s ALA 3 N -2.39 -2.35 0.06 1.71 0.00 -1.26 -4.95 121.76 112.59 2k1x s ALA 3 Ca 0.42 -0.07 -0.26 0.00 0.00 0.00 0.00 51.96 52.05 2k1x s ALA 3 Cb -0.10 -2.74 -0.06 0.00 0.00 0.00 0.00 23.12 20.22 2k1x s ALA 3 CO 0.37 -2.24 0.81 0.00 0.00 0.00 0.00 175.76 174.70 2k1x s ALA 4 N 1.34 3.34 -0.65 0.00 0.00 -1.26 -4.83 121.76 119.70 2k1x s ALA 4 Ca 0.23 0.35 -0.20 0.00 0.00 0.00 0.00 51.96 52.34 2k1x s ALA 4 Cb -0.01 -3.06 0.09 0.00 0.00 0.00 0.00 23.12 20.14 2k1x s ALA 4 CO -0.06 0.05 0.85 -2.00 0.00 0.00 0.00 175.76 174.59 2k1x s GLU 5 N -0.06 3.13 -0.05 0.00 2.12 -1.26 -4.78 118.70 117.79 2k1x s GLU 5 Ca 0.40 -1.18 0.04 0.00 0.36 0.00 0.00 54.97 54.60 2k1x s GLU 5 Cb -0.21 -4.31 -0.02 0.00 0.26 0.00 0.00 34.13 29.85 2k1x s GLU 5 CO 0.25 -1.67 -0.17 0.14 -0.54 0.00 0.00 175.26 173.26 2k1x s VAL 6 N 3.21 2.80 -0.39 3.70 -7.23 -1.26 -4.87 120.40 116.36 2k1x s VAL 6 Ca 0.18 -0.81 -0.13 0.00 -1.81 0.00 0.00 61.98 59.40 2k1x s VAL 6 Cb -0.19 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.69 2k1x s VAL 6 CO 0.06 0.58 0.25 -0.51 -0.31 0.00 0.00 175.10 175.17 2k1x s ILE 7 N -0.55 4.90 0.08 -0.62 2.07 -1.22 -4.69 121.20 121.17 2k1x s ILE 7 Ca 0.08 -0.74 0.01 0.00 -1.41 0.00 0.00 60.65 58.59 2k1x s ILE 7 Cb -0.11 -3.72 -0.04 0.00 0.13 0.00 0.00 42.46 38.72 2k1x s ILE 7 CO 0.01 -0.25 -0.05 0.68 -1.91 0.00 0.00 174.94 173.41 2k1x s VAL 8 N 1.62 0.52 0.02 4.00 -7.23 -1.24 -2.41 120.40 115.67 2k1x s VAL 8 Ca 0.04 -1.84 0.05 0.00 -1.81 0.00 0.00 61.98 58.42 2k1x s VAL 8 Cb -0.19 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2k1x s VAL 8 CO 0.08 -0.89 -0.13 -0.31 -0.31 0.00 0.00 175.10 173.54 2k1x s TYR 9 N -3.60 2.69 -0.60 2.82 1.51 -1.14 -1.59 117.35 117.44 2k1x s TYR 9 Ca 0.09 -0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 55.96 2k1x s TYR 9 Cb 0.05 -1.53 0.37 0.00 -0.11 0.00 0.00 41.96 40.74 2k1x s TYR 9 CO -0.06 0.29 2.07 -0.85 -1.11 0.00 0.00 175.55 175.88 2k1x n GLU 10 N 1.62 2.49 -3.37 -0.62 -0.00 0.74 -3.88 120.64 117.63 2k1x n GLU 10 Ca -0.16 -2.90 0.00 0.00 -0.00 0.00 0.00 57.16 54.10 2k1x n GLU 10 Cb 0.52 -2.13 0.00 0.00 -0.00 0.00 0.00 31.44 29.83 2k1x n GLU 10 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2k1x n HIS 11 N -0.52 0.00 -0.89 -1.84 8.25 -1.26 -4.54 115.22 114.42 2k1x n HIS 11 Ca 0.54 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.69 2k1x n HIS 11 Cb 0.59 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.84 2k1x n HIS 11 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2k1x s VAL 12 N -2.99 2.49 -0.71 1.59 1.01 -1.26 -3.27 120.40 117.26 2k1x s VAL 12 Ca 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 2k1x s VAL 12 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 2k1x s VAL 12 CO 0.00 -0.21 2.97 -3.20 0.00 0.00 0.00 175.10 174.66 2k1x n ASN 13 N -3.99 6.86 -0.49 3.32 5.15 -1.26 -3.30 115.26 121.55 2k1x n ASN 13 Ca 0.11 -2.88 -0.01 0.00 -0.60 0.00 0.00 54.58 51.20 2k1x n ASN 13 Cb 0.52 -1.37 -0.01 0.00 -0.53 0.00 0.00 39.78 38.40 2k1x n ASN 13 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2k1x n PHE 14 N 1.98 0.00 0.00 1.20 -1.74 -1.26 -5.01 117.46 112.63 2k1x n PHE 14 Ca 0.55 -0.06 0.00 0.00 -0.56 0.00 0.00 57.45 57.38 2k1x n PHE 14 Cb 0.53 0.27 0.00 0.00 1.52 0.00 0.00 39.48 41.80 2k1x n PHE 14 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k1x n GLY 15 N 0.00 0.00 3.28 4.97 0.00 -1.23 -5.18 105.19 107.03 2k1x n GLY 15 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 2k1x n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1x s GLY 16 N 0.00 1.74 0.47 -0.02 0.00 -1.21 -4.73 107.32 103.58 2k1x s GLY 16 Ca 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 44.72 42.90 2k1x s GLY 16 CO 0.00 -1.51 0.75 1.25 0.00 0.00 0.00 173.10 173.58 2k1x s LYS 17 N -4.00 3.33 0.16 2.90 2.36 -1.26 -4.90 119.74 118.33 2k1x s LYS 17 Ca 0.38 -0.05 -0.01 0.00 -2.55 0.00 0.00 55.97 53.74 2k1x s LYS 17 Cb 0.07 -2.44 -0.04 0.00 -1.05 0.00 0.00 37.83 34.37 2k1x s LYS 17 CO 0.15 -0.25 0.07 -1.54 1.55 0.00 0.00 175.35 175.33 2k1x s SER 18 N -4.15 0.42 -0.18 1.43 1.04 -1.26 -0.18 113.70 110.81 2k1x s SER 18 Ca 0.47 -1.27 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 2k1x s SER 18 Cb -0.10 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.36 2k1x s SER 18 CO 0.42 -0.74 -0.04 -0.36 0.98 0.00 0.00 173.24 173.50 2k1x s PHE 19 N -4.02 1.70 -0.43 5.02 0.08 -0.62 -4.97 117.98 114.74 2k1x s PHE 19 Ca 0.29 -1.16 0.06 0.00 0.12 0.00 0.00 56.93 56.24 2k1x s PHE 19 Cb 0.07 -1.31 0.42 0.00 -0.57 0.00 0.00 43.02 41.64 2k1x s PHE 19 CO 0.06 -0.64 1.10 -3.47 -0.10 0.00 0.00 175.22 172.17 2k1x n ASP 20 N 4.87 4.54 -4.23 1.36 2.03 -1.26 -3.72 116.55 120.14 2k1x n ASP 20 Ca -0.11 -3.67 -0.25 0.00 0.52 0.00 0.00 54.79 51.28 2k1x n ASP 20 Cb 0.47 -0.46 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 2k1x n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k1x s ALA 21 N -3.52 1.67 -0.66 -1.67 0.00 -1.26 -5.04 121.76 111.27 2k1x s ALA 21 Ca 0.47 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 2k1x s ALA 21 Cb 0.40 -0.34 0.45 0.00 0.00 0.00 0.00 23.12 23.63 2k1x s ALA 21 CO -0.18 0.38 2.03 -2.37 0.00 0.00 0.00 175.76 175.62 2k1x n THR 22 N 2.04 3.63 0.00 0.00 5.66 -1.26 -4.49 114.28 119.85 2k1x n THR 22 Ca -0.17 -2.93 0.00 0.00 -3.05 0.00 0.00 64.05 57.90 2k1x n THR 22 Cb 0.53 -1.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.16 2k1x n THR 22 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2k1x n SER 23 N -0.92 0.00 -2.66 1.09 2.88 -1.26 -4.81 113.62 107.95 2k1x n SER 23 Ca 0.63 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 58.18 2k1x n SER 23 Cb 0.67 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.14 2k1x n SER 23 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2k1x s ASP 24 N -1.00 -0.02 0.66 -3.46 1.01 -1.26 -4.60 116.67 108.00 2k1x s ASP 24 Ca 0.00 -0.01 -0.11 0.00 0.71 0.00 0.00 52.55 53.14 2k1x s ASP 24 Cb 0.00 0.02 -0.01 0.00 1.01 0.00 0.00 42.92 43.94 2k1x s ASP 24 CO 0.00 -0.00 1.06 -1.10 0.21 0.00 0.00 175.17 175.34 2k1x s GLN 25 N 1.87 3.24 0.39 8.23 1.11 -1.26 -5.08 119.66 128.16 2k1x s GLN 25 Ca 0.15 0.60 -0.07 0.00 0.01 0.00 0.00 55.36 56.05 2k1x s GLN 25 Cb 0.06 -2.06 0.09 0.00 -1.01 0.00 0.00 33.01 30.10 2k1x s GLN 25 CO -0.16 -0.78 0.41 -0.35 0.01 0.00 0.00 175.29 174.41 2k1x n PRO 26 N -2.86 -1.19 -2.24 2.91 -0.04 -1.26 -5.07 135.00 125.24 2k1x n PRO 26 Ca 0.06 -0.65 -0.27 0.00 -0.04 0.00 0.00 63.50 62.61 2k1x n PRO 26 Cb 0.56 -0.52 0.15 0.00 -0.04 0.00 0.00 33.50 33.64 2k1x n PRO 26 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k1x s GLY 27 N -3.52 1.77 -0.21 0.55 0.00 -1.26 -5.02 107.32 99.62 2k1x s GLY 27 Ca 0.25 -1.44 -0.19 0.00 0.00 0.00 0.00 44.72 43.34 2k1x s GLY 27 CO 0.18 -0.77 0.56 0.00 0.00 0.00 0.00 173.10 173.07 2k1x s ALA 28 N -3.52 3.56 0.00 3.20 0.00 -1.26 -4.84 121.76 118.89 2k1x s ALA 28 Ca 0.70 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2k1x s ALA 28 Cb -0.05 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.19 2k1x s ALA 28 CO 0.49 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2k1x n GLY 29 N 3.98 0.66 2.68 0.00 0.00 -1.26 -3.18 105.19 108.07 2k1x n GLY 29 Ca -0.03 -1.13 -0.04 0.00 0.00 0.00 0.00 46.02 44.82 2k1x n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k1x n ASP 30 N 0.00 -1.59 -3.66 1.61 8.00 -1.26 -4.58 116.55 115.07 2k1x n ASP 30 Ca 0.00 -2.32 0.01 0.00 0.71 0.00 0.00 54.79 53.19 2k1x n ASP 30 Cb 0.00 0.80 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 2k1x n ASP 30 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2k1x s ASN 31 N -1.21 -0.04 0.76 -2.24 -0.87 -1.26 -5.14 114.94 104.94 2k1x s ASN 31 Ca 0.15 -0.24 0.00 0.00 -1.57 0.00 0.00 52.86 51.20 2k1x s ASN 31 Cb 0.43 0.23 0.00 0.00 -0.02 0.00 0.00 41.25 41.88 2k1x s ASN 31 CO -0.11 -0.43 0.00 -0.11 -2.57 0.00 0.00 177.10 173.88 2k1x n LEU 32 N -0.62 0.00 -4.51 0.60 7.94 -1.26 -4.50 117.00 114.64 2k1x n LEU 32 Ca -0.04 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.45 2k1x n LEU 32 Cb 0.61 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.49 2k1x n LEU 32 CO 0.14 -1.22 2.02 -0.46 -1.11 0.00 0.00 177.39 176.76 2k1x n ASN 33 N -2.29 1.78 -2.20 1.96 6.94 -1.21 -4.58 115.26 115.64 2k1x n ASN 33 Ca 0.00 -0.09 -0.01 0.00 -0.02 0.00 0.00 54.58 54.46 2k1x n ASN 33 Cb 0.00 -1.33 0.08 0.00 -2.36 0.00 0.00 39.78 36.17 2k1x n ASN 33 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2k1x n ASP 34 N 12.93 -0.93 -4.58 0.53 2.03 -1.26 -5.11 116.55 120.16 2k1x n ASP 34 Ca 0.45 -1.76 -0.43 0.00 0.52 0.00 0.00 54.79 53.57 2k1x n ASP 34 Cb 0.33 0.43 -0.03 0.00 -0.72 0.00 0.00 41.12 41.14 2k1x n ASP 34 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k1x s LYS 35 N 0.08 3.60 -0.30 -0.67 -0.14 -1.26 -4.93 119.74 116.12 2k1x s LYS 35 Ca 0.06 0.33 -0.05 0.00 -1.36 0.00 0.00 55.97 54.94 2k1x s LYS 35 Cb 0.28 -3.94 0.19 0.00 -1.68 0.00 0.00 37.83 32.67 2k1x s LYS 35 CO -0.08 -1.41 0.87 -1.50 -0.76 0.00 0.00 175.35 172.47 2k1x s ILE 36 N 4.33 -0.55 0.00 2.17 2.07 -1.26 -4.75 121.20 123.21 2k1x s ILE 36 Ca 0.43 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.67 2k1x s ILE 36 Cb -0.08 -0.66 0.00 0.00 0.13 0.00 0.00 42.46 41.85 2k1x s ILE 36 CO 0.28 0.00 0.00 -1.54 -1.91 0.00 0.00 174.94 171.77 2k1x n SER 37 N 5.29 0.00 -4.32 4.50 3.41 -1.23 -3.99 113.62 117.27 2k1x n SER 37 Ca 0.05 -0.76 -0.19 0.00 -0.26 0.00 0.00 58.87 57.70 2k1x n SER 37 Cb 0.55 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 2k1x n SER 37 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k1x s SER 38 N -0.28 2.50 -0.02 4.04 0.15 -1.20 -3.43 113.70 115.46 2k1x s SER 38 Ca 0.00 -0.94 0.04 0.00 0.70 0.00 0.00 55.95 55.74 2k1x s SER 38 Cb 0.00 -0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 2k1x s SER 38 CO 0.00 -0.13 -0.13 -0.63 1.20 0.00 0.00 173.24 173.55 2k1x s ILE 39 N -2.60 1.05 -0.05 6.45 -1.09 0.86 -2.89 121.20 122.93 2k1x s ILE 39 Ca 0.18 -0.54 -0.00 0.00 -2.23 0.00 0.00 60.65 58.06 2k1x s ILE 39 Cb -0.03 -0.90 0.03 0.00 -1.58 0.00 0.00 42.46 39.98 2k1x s ILE 39 CO 0.06 0.31 -0.01 -0.75 -1.23 0.00 0.00 174.94 173.32 2k1x s LYS 40 N -0.12 0.55 -0.02 2.79 2.20 -1.01 -0.71 119.74 123.42 2k1x s LYS 40 Ca 0.01 0.07 0.08 0.00 -0.36 0.00 0.00 55.97 55.77 2k1x s LYS 40 Cb -0.07 -0.81 -0.02 0.00 -1.51 0.00 0.00 37.83 35.42 2k1x s LYS 40 CO 0.00 -0.22 -0.26 0.54 -0.36 0.00 0.00 175.35 175.06 2k1x s VAL 41 N 1.54 2.02 -0.27 4.02 0.11 -1.22 -3.43 120.40 123.16 2k1x s VAL 41 Ca -0.02 -1.09 0.21 0.00 -2.93 0.00 0.00 61.98 58.16 2k1x s VAL 41 Cb -0.13 -1.68 0.49 0.00 -1.53 0.00 0.00 36.38 33.54 2k1x s VAL 41 CO -0.03 0.57 1.17 1.17 -3.33 0.00 0.00 175.10 174.65 2k1x n LYS 42 N 2.50 1.66 -3.16 1.54 3.00 -1.26 -3.65 118.16 118.80 2k1x n LYS 42 Ca -0.16 -3.17 0.04 0.00 -0.00 0.00 0.00 58.31 55.02 2k1x n LYS 42 Cb 0.51 -1.31 -0.03 0.00 0.00 0.00 0.00 35.03 34.20 2k1x n LYS 42 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2k1x s SER 43 N -3.40 -0.03 0.59 3.14 1.04 -1.26 -5.14 113.70 108.64 2k1x s SER 43 Ca 0.24 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2k1x s SER 43 Cb 0.34 1.03 0.00 0.00 0.10 0.00 0.00 66.02 67.49 2k1x s SER 43 CO -0.05 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2k1x n GLY 44 N 4.78 0.93 3.11 7.32 0.00 -1.26 -4.83 105.19 115.24 2k1x n GLY 44 Ca -0.07 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 2k1x n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k1x s THR 45 N 0.00 0.55 0.44 2.61 -4.23 -1.23 -4.49 115.64 109.29 2k1x s THR 45 Ca 0.00 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 58.98 2k1x s THR 45 Cb 0.00 -1.21 -0.03 0.00 1.34 0.00 0.00 72.50 72.60 2k1x s THR 45 CO 0.00 -0.70 0.04 0.26 -0.54 0.00 0.00 174.62 173.69 2k1x s TRP 46 N -2.75 1.98 -0.14 3.99 0.51 -1.21 -4.14 118.94 117.17 2k1x s TRP 46 Ca 0.02 -0.99 0.01 0.00 -2.12 0.00 0.00 56.10 53.02 2k1x s TRP 46 Cb -0.01 -1.48 0.02 0.00 -0.81 0.00 0.00 33.47 31.19 2k1x s TRP 46 CO -0.03 0.10 -0.16 1.03 -0.51 0.00 0.00 176.95 177.37 2k1x s ARG 47 N -3.80 2.43 -0.17 4.98 3.00 -1.23 -2.06 118.95 122.09 2k1x s ARG 47 Ca 0.20 -0.63 -0.05 0.00 0.00 0.00 0.00 55.73 55.25 2k1x s ARG 47 Cb 0.04 -2.11 -0.03 0.00 0.00 0.00 0.00 34.95 32.85 2k1x s ARG 47 CO 0.10 -0.14 -0.00 -0.06 0.00 0.00 0.00 175.30 175.20 2k1x s PHE 48 N 1.19 3.09 -0.03 -0.53 0.08 0.92 -2.86 117.98 119.83 2k1x s PHE 48 Ca -0.01 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 56.80 2k1x s PHE 48 Cb -0.14 -2.02 0.03 0.00 -0.57 0.00 0.00 43.02 40.32 2k1x s PHE 48 CO -0.06 -0.04 0.04 1.52 -0.10 0.00 0.00 175.22 176.58 2k1x s TYR 49 N 0.52 0.03 -0.92 0.36 1.13 -0.72 -0.66 117.35 117.08 2k1x s TYR 49 Ca -0.01 0.17 -0.13 0.00 -1.41 0.00 0.00 57.07 55.69 2k1x s TYR 49 Cb -0.14 -0.28 0.23 0.00 -1.10 0.00 0.00 41.96 40.67 2k1x s TYR 49 CO 0.02 -0.11 0.90 -1.83 -2.51 0.00 0.00 175.55 172.02 2k1x s GLU 50 N 1.31 3.79 0.00 -3.49 1.03 -1.26 -1.19 118.70 118.89 2k1x s GLU 50 Ca -0.06 -2.64 0.00 0.00 0.03 0.00 0.00 54.97 52.30 2k1x s GLU 50 Cb -0.13 -4.51 0.00 0.00 -0.80 0.00 0.00 34.13 28.69 2k1x s GLU 50 CO -0.03 -1.32 0.00 0.66 -1.33 0.00 0.00 175.26 173.24 2k1x n TYR 51 N 3.81 0.00 -0.49 4.83 4.01 0.91 -4.35 117.16 125.88 2k1x n TYR 51 Ca 0.18 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.64 2k1x n TYR 51 Cb 0.45 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.69 2k1x n TYR 51 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 2k1x n ILE 52 N 4.21 0.00 -0.51 -0.72 -5.35 -1.25 -4.33 119.36 111.41 2k1x n ILE 52 Ca 0.00 -0.21 -0.12 0.00 -0.27 0.00 0.00 62.75 62.15 2k1x n ILE 52 Cb 0.00 -0.73 0.04 0.00 -1.74 0.00 0.00 39.64 37.21 2k1x n ILE 52 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2k1x n ASN 53 N -3.12 5.33 -0.45 7.28 3.02 -1.26 -3.46 115.26 122.60 2k1x n ASN 53 Ca 0.05 -2.82 0.00 0.00 -0.03 0.00 0.00 54.58 51.78 2k1x n ASN 53 Cb 0.53 -0.94 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 2k1x n ASN 53 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2k1x n TYR 54 N 0.38 0.00 -2.39 3.10 4.02 -1.26 -5.14 117.16 115.88 2k1x n TYR 54 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.12 2k1x n TYR 54 Cb 0.67 0.12 0.00 0.00 -0.02 0.00 0.00 39.34 40.12 2k1x n TYR 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2k1x n GLY 55 N 0.00 -0.57 0.00 2.72 0.00 -1.22 -5.18 105.19 100.93 2k1x n GLY 55 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2k1x n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1x n GLY 56 N 0.00 1.02 3.57 -0.02 0.00 -1.26 -4.46 105.19 104.04 2k1x n GLY 56 Ca 0.00 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 2k1x n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k1x s ARG 57 N -1.37 2.94 -0.46 1.61 3.00 -1.26 -4.87 118.95 118.54 2k1x s ARG 57 Ca 0.00 0.88 -0.28 0.00 -1.00 0.00 0.00 55.73 55.33 2k1x s ARG 57 Cb 0.00 -4.29 0.01 0.00 0.00 0.00 0.00 34.95 30.67 2k1x s ARG 57 CO 0.00 -2.35 1.43 -0.47 0.00 0.00 0.00 175.30 173.91 2k1x s TYR 58 N 8.05 2.33 -0.22 5.12 5.04 -1.26 -3.92 117.35 132.48 2k1x s TYR 58 Ca 0.70 0.62 -0.04 0.00 -2.44 0.00 0.00 57.07 55.91 2k1x s TYR 58 Cb -0.16 -4.33 0.08 0.00 0.35 0.00 0.00 41.96 37.90 2k1x s TYR 58 CO 0.26 -2.01 0.09 -0.46 -1.34 0.00 0.00 175.55 172.09 2k1x s TRP 59 N 5.75 0.55 0.06 4.97 -0.00 0.16 -4.98 118.94 125.44 2k1x s TRP 59 Ca 0.59 -0.72 -0.20 0.00 -0.00 0.00 0.00 56.10 55.77 2k1x s TRP 59 Cb -0.13 -0.92 -0.06 0.00 -0.00 0.00 0.00 33.47 32.36 2k1x s TRP 59 CO 0.30 -0.66 0.60 0.16 -0.00 0.00 0.00 176.95 177.36 2k1x s ASP 60 N 2.02 7.08 0.25 5.86 -4.77 -1.26 -0.06 116.67 125.79 2k1x s ASP 60 Ca 0.04 1.28 0.04 0.00 -3.30 0.00 0.00 52.55 50.61 2k1x s ASP 60 Cb -0.16 -2.38 -0.03 0.00 -1.09 0.00 0.00 42.92 39.26 2k1x s ASP 60 CO -0.18 0.21 0.38 -1.48 0.70 0.00 0.00 175.17 174.80 2k1x s LEU 61 N -0.82 4.28 0.39 2.11 2.34 -0.87 -4.93 118.68 121.17 2k1x s LEU 61 Ca 0.30 0.14 0.04 0.00 0.06 0.00 0.00 54.13 54.67 2k1x s LEU 61 Cb -0.20 -2.93 -0.03 0.00 -0.56 0.00 0.00 46.19 42.47 2k1x s LEU 61 CO 0.19 -0.09 0.10 -0.83 -1.06 0.00 0.00 176.35 174.67 2k1x s GLY 62 N -3.91 2.48 -0.57 -3.48 0.00 -1.26 -3.34 107.32 97.25 2k1x s GLY 62 Ca 0.35 -1.40 -0.39 0.00 0.00 0.00 0.00 44.72 43.27 2k1x s GLY 62 CO 0.30 -1.85 2.27 -1.05 0.00 0.00 0.00 173.10 172.77 2k1x n PRO 63 N -0.87 0.22 0.00 2.90 -0.02 -1.26 -4.76 135.00 131.21 2k1x n PRO 63 Ca -0.06 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2k1x n PRO 63 Cb 0.66 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 2k1x n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k1x n GLY 64 N 7.10 3.45 3.83 -1.23 0.00 -1.24 -5.04 105.19 112.06 2k1x n GLY 64 Ca 0.54 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 2k1x n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k1x s GLU 65 N -2.22 3.22 0.02 1.61 2.12 -1.26 -3.45 118.70 118.74 2k1x s GLU 65 Ca 0.00 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 54.96 2k1x s GLU 65 Cb 0.00 -2.97 -0.01 0.00 0.26 0.00 0.00 34.13 31.41 2k1x s GLU 65 CO 0.00 0.68 -0.05 0.71 -0.54 0.00 0.00 175.26 176.05 2k1x s TYR 66 N -1.20 0.44 -0.46 5.30 2.02 0.11 -4.98 117.35 118.59 2k1x s TYR 66 Ca 0.23 -0.29 0.08 0.00 -0.37 0.00 0.00 57.07 56.72 2k1x s TYR 66 Cb -0.12 -0.28 0.27 0.00 -0.40 0.00 0.00 41.96 41.44 2k1x s TYR 66 CO 0.14 -0.06 0.64 0.43 -1.57 0.00 0.00 175.55 175.13 2k1x n SER 67 N 2.23 1.46 -4.81 2.29 7.64 -1.26 -0.10 113.62 121.07 2k1x n SER 67 Ca -0.18 -3.00 -0.36 0.00 1.01 0.00 0.00 58.87 56.34 2k1x n SER 67 Cb 0.57 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 63.07 2k1x n SER 67 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k1x s SER 68 N -1.88 7.06 0.00 6.43 0.01 -1.22 -4.96 113.70 119.14 2k1x s SER 68 Ca 0.38 1.46 0.00 0.00 1.31 0.00 0.00 55.95 59.10 2k1x s SER 68 Cb 0.20 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 64.00 2k1x s SER 68 CO -0.08 -0.01 0.74 1.33 0.41 0.00 0.00 173.24 175.63 2k1x n VAL 69 N 0.58 0.00 -2.32 3.43 0.24 -1.26 -3.50 118.33 115.50 2k1x n VAL 69 Ca -0.01 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2k1x n VAL 69 Cb 0.51 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 2k1x n VAL 69 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2k1x n GLU 70 N 0.00 0.03 0.00 7.34 0.28 -1.26 -4.92 120.64 122.10 2k1x n GLU 70 Ca 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 2k1x n GLU 70 Cb 0.60 0.10 0.00 0.00 1.43 0.00 0.00 31.44 33.57 2k1x n GLU 70 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k1x n SER 71 N -0.03 0.00 -0.24 -1.84 2.88 -1.26 -4.96 113.62 108.17 2k1x n SER 71 Ca -0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.56 2k1x n SER 71 Cb 0.46 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.08 2k1x n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k1x h ALA 72 N 0.00 0.98 0.00 -1.46 0.00 -1.94 -3.43 119.26 113.40 2k1x h ALA 72 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k1x h ALA 72 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k1x h ALA 72 CO 0.00 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.52 2k1x n GLY 73 N -1.31 -0.79 2.49 0.00 0.00 -1.26 -5.06 105.19 99.25 2k1x n GLY 73 Ca 0.12 0.78 -0.26 0.00 0.00 0.00 0.00 46.02 46.66 2k1x n GLY 73 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k1x n ILE 74 N 0.00 1.95 -0.64 -0.61 2.08 -1.26 -4.77 119.36 116.10 2k1x n ILE 74 Ca 0.00 -5.10 0.00 0.00 0.56 0.00 0.00 62.75 58.21 2k1x n ILE 74 Cb 0.00 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.06 2k1x n ILE 74 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2k1x n PRO 75 N 0.65 0.37 0.00 0.38 -0.04 -1.26 -5.02 135.00 130.09 2k1x n PRO 75 Ca 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2k1x n PRO 75 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 2k1x n PRO 75 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k1x n ASP 76 N -1.91 0.00 0.00 3.54 2.03 -1.26 -4.78 116.55 114.17 2k1x n ASP 76 Ca 0.00 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.30 2k1x n ASP 76 Cb 0.00 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 2k1x n ASP 76 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k1x n ASN 77 N -2.09 0.00 0.00 1.67 3.02 -1.26 -3.89 115.26 112.71 2k1x n ASN 77 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2k1x n ASN 77 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2k1x n ASN 77 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2k1x n SER 78 N 0.00 0.00 -3.51 6.41 3.41 -1.26 -3.35 113.62 115.32 2k1x n SER 78 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 2k1x n SER 78 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 2k1x n SER 78 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2k1x n ILE 79 N 0.00 -6.49 -3.96 -1.33 2.08 -1.26 -4.31 119.36 104.09 2k1x n ILE 79 Ca 0.00 -0.85 -0.22 0.00 0.56 0.00 0.00 62.75 62.24 2k1x n ILE 79 Cb 0.00 -4.98 -0.05 0.00 -0.75 0.00 0.00 39.64 33.87 2k1x n ILE 79 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 2k1x s SER 80 N -3.90 5.10 -0.06 4.38 0.01 -1.25 -0.06 113.70 117.91 2k1x s SER 80 Ca 0.23 -0.55 -0.29 0.00 1.31 0.00 0.00 55.95 56.64 2k1x s SER 80 Cb -0.05 -0.95 0.10 0.00 0.21 0.00 0.00 66.02 65.33 2k1x s SER 80 CO 0.78 -0.28 0.86 -0.94 0.41 0.00 0.00 173.24 174.07 2k1x s SER 81 N -3.92 -0.45 -0.16 2.44 1.04 -0.33 -4.36 113.70 107.96 2k1x s SER 81 Ca 0.38 0.33 -0.12 0.00 0.48 0.00 0.00 55.95 57.03 2k1x s SER 81 Cb -0.05 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.52 2k1x s SER 81 CO 0.25 -0.54 0.40 0.72 0.98 0.00 0.00 173.24 175.06 2k1x s PHE 82 N -1.92 -0.51 -0.27 5.02 -0.71 -1.26 -1.75 117.98 116.58 2k1x s PHE 82 Ca -0.02 1.16 -0.18 0.00 -1.04 0.00 0.00 56.93 56.86 2k1x s PHE 82 Cb -0.01 0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 41.98 2k1x s PHE 82 CO -0.01 -0.27 0.51 1.03 -1.34 0.00 0.00 175.22 175.15 2k1x s ARG 83 N 0.75 4.04 -0.96 1.99 1.81 -1.14 -4.75 118.95 120.69 2k1x s ARG 83 Ca -0.04 0.29 -0.24 0.00 -1.72 0.00 0.00 55.73 54.02 2k1x s ARG 83 Cb -0.05 -3.66 0.04 0.00 -0.45 0.00 0.00 34.95 30.83 2k1x s ARG 83 CO -0.05 -0.37 1.43 -0.65 -0.68 0.00 0.00 175.30 174.98 2k1x s GLN 84 N 2.32 3.48 0.00 3.54 -0.21 -1.26 -3.55 119.66 123.97 2k1x s GLN 84 Ca 0.21 -0.92 0.04 0.00 0.02 0.00 0.00 55.36 54.71 2k1x s GLN 84 Cb -0.16 -5.12 0.03 0.00 1.00 0.00 0.00 33.01 28.77 2k1x s GLN 84 CO 0.09 -2.23 0.61 0.44 -2.12 0.00 0.00 175.29 172.09