#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 6.14 -0.30 7.83 3.84 -1.26 -5.11 114.94 126.08 2k1x s ASN 2 Ca 0.00 0.09 -0.07 0.00 0.21 0.00 0.00 52.86 53.08 2k1x s ASN 2 Cb 0.00 -1.79 0.17 0.00 -0.55 0.00 0.00 41.25 39.08 2k1x s ASN 2 CO 0.00 0.04 0.74 0.00 -2.79 0.00 0.00 177.10 175.10 2k1x s ALA 3 N -1.78 -2.47 -0.30 1.71 0.00 -1.26 -5.15 121.76 112.52 2k1x s ALA 3 Ca 0.34 1.94 -0.15 0.00 0.00 0.00 0.00 51.96 54.09 2k1x s ALA 3 Cb -0.11 -2.11 0.16 0.00 0.00 0.00 0.00 23.12 21.07 2k1x s ALA 3 CO 0.27 -1.20 0.98 0.00 0.00 0.00 0.00 175.76 175.82 2k1x s ALA 4 N 2.83 -2.71 -0.79 0.00 0.00 -1.26 -5.04 121.76 114.78 2k1x s ALA 4 Ca 0.07 2.04 -0.23 0.00 0.00 0.00 0.00 51.96 53.84 2k1x s ALA 4 Cb -0.12 -2.06 0.07 0.00 0.00 0.00 0.00 23.12 21.01 2k1x s ALA 4 CO -0.18 -0.97 1.15 -1.21 0.00 0.00 0.00 175.76 174.55 2k1x s GLU 5 N 2.47 3.30 -0.23 0.00 8.01 -1.26 -4.96 118.70 126.03 2k1x s GLU 5 Ca -0.02 -0.91 -0.06 0.00 0.01 0.00 0.00 54.97 53.99 2k1x s GLU 5 Cb -0.06 -4.54 -0.02 0.00 -4.31 0.00 0.00 34.13 25.20 2k1x s GLU 5 CO -0.17 -1.96 0.01 0.08 0.01 0.00 0.00 175.26 173.23 2k1x s VAL 6 N 4.38 3.84 -0.20 2.63 1.01 -1.26 -3.94 120.40 126.85 2k1x s VAL 6 Ca 0.31 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 2k1x s VAL 6 Cb -0.10 -2.78 0.05 0.00 0.00 0.00 0.00 36.38 33.56 2k1x s VAL 6 CO 0.04 0.38 -0.03 -0.51 0.00 0.00 0.00 175.10 174.98 2k1x s ILE 7 N 1.54 1.16 0.17 2.22 2.07 -1.23 -4.61 121.20 122.52 2k1x s ILE 7 Ca 0.06 -0.89 0.04 0.00 -1.41 0.00 0.00 60.65 58.46 2k1x s ILE 7 Cb -0.15 -1.46 -0.05 0.00 0.13 0.00 0.00 42.46 40.94 2k1x s ILE 7 CO 0.00 -0.06 -0.08 0.68 -1.91 0.00 0.00 174.94 173.58 2k1x s VAL 8 N 1.58 1.16 0.08 4.00 -7.23 -1.24 -2.67 120.40 116.08 2k1x s VAL 8 Ca -0.03 -2.06 0.07 0.00 -1.81 0.00 0.00 61.98 58.15 2k1x s VAL 8 Cb -0.17 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2k1x s VAL 8 CO -0.07 -0.62 -0.13 -0.31 -0.31 0.00 0.00 175.10 173.65 2k1x s TYR 9 N -3.34 2.67 -0.64 2.82 1.51 -0.54 -1.45 117.35 118.38 2k1x s TYR 9 Ca 0.20 -0.19 -0.01 0.00 -1.01 0.00 0.00 57.07 56.06 2k1x s TYR 9 Cb 0.03 -1.44 0.44 0.00 -0.11 0.00 0.00 41.96 40.89 2k1x s TYR 9 CO 0.03 0.37 1.94 -1.91 -1.11 0.00 0.00 175.55 174.88 2k1x n GLU 10 N 1.00 2.80 -3.36 -0.62 2.13 0.85 -3.83 120.64 119.60 2k1x n GLU 10 Ca -0.15 -3.41 0.00 0.00 0.66 0.00 0.00 57.16 54.27 2k1x n GLU 10 Cb 0.52 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.95 2k1x n GLU 10 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2k1x n HIS 11 N -0.87 0.00 -0.91 4.31 8.25 -1.26 -4.55 115.22 120.19 2k1x n HIS 11 Ca 0.60 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.75 2k1x n HIS 11 Cb 0.67 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.92 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 -2.82 2.53 -0.73 1.59 1.01 -1.26 -2.70 120.40 118.03 2k1x s VAL 12 Ca 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 2k1x s VAL 12 Cb 0.00 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2k1x s VAL 12 CO 0.00 -0.22 2.96 -3.20 0.00 0.00 0.00 175.10 174.63 2k1x n ASN 13 N -3.98 6.89 -0.49 3.32 5.15 -1.26 -3.41 115.26 121.47 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 0.56 -0.06 0.00 0.00 -0.56 0.00 0.00 57.45 57.39 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 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 1.47 0.37 -0.02 0.00 -1.22 -4.71 107.32 103.22 2k1x s GLY 16 Ca 0.00 -1.65 -0.00 0.00 0.00 0.00 0.00 44.72 43.07 2k1x s GLY 16 CO 0.00 -1.29 0.59 -1.59 0.00 0.00 0.00 173.10 170.81 2k1x s LYS 17 N -3.96 3.46 0.16 2.90 -2.85 -1.26 -4.92 119.74 113.27 2k1x s LYS 17 Ca 0.37 -0.27 0.01 0.00 -1.00 0.00 0.00 55.97 55.07 2k1x s LYS 17 Cb 0.05 -2.62 -0.04 0.00 -2.06 0.00 0.00 37.83 33.16 2k1x s LYS 17 CO 0.15 0.07 0.02 -1.54 0.10 0.00 0.00 175.35 174.14 2k1x s SER 18 N -4.06 0.95 -0.21 0.03 1.04 -1.26 -0.11 113.70 110.08 2k1x s SER 18 Ca 0.42 -1.18 0.01 0.00 0.48 0.00 0.00 55.95 55.68 2k1x s SER 18 Cb -0.10 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.24 2k1x s SER 18 CO 0.37 -0.61 -0.11 -0.36 0.98 0.00 0.00 173.24 173.51 2k1x s PHE 19 N -3.77 2.62 -0.54 5.02 0.08 -0.53 -4.97 117.98 115.89 2k1x s PHE 19 Ca 0.24 -1.75 0.07 0.00 0.12 0.00 0.00 56.93 55.60 2k1x s PHE 19 Cb 0.07 -1.72 0.27 0.00 -0.57 0.00 0.00 43.02 41.07 2k1x s PHE 19 CO 0.03 -0.78 0.72 -0.40 -0.10 0.00 0.00 175.22 174.69 2k1x n ASP 20 N 4.63 2.63 -3.56 1.36 5.75 -1.26 -3.71 116.55 122.38 2k1x n ASP 20 Ca -0.15 -3.24 -0.16 0.00 -0.01 0.00 0.00 54.79 51.22 2k1x n ASP 20 Cb 0.46 -0.64 -0.06 0.00 -1.03 0.00 0.00 41.12 39.85 2k1x n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k1x s ALA 21 N -2.29 -1.54 -0.47 2.12 0.00 -1.26 -5.04 121.76 113.27 2k1x s ALA 21 Ca 0.40 1.03 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 2k1x s ALA 21 Cb 0.20 0.09 0.31 0.00 0.00 0.00 0.00 23.12 23.72 2k1x s ALA 21 CO -0.07 -0.38 2.03 0.25 0.00 0.00 0.00 175.76 177.59 2k1x n THR 22 N 0.86 3.14 -0.34 0.00 -2.24 -1.26 -4.43 114.28 110.01 2k1x n THR 22 Ca -0.19 -2.19 0.04 0.00 -2.27 0.00 0.00 64.05 59.43 2k1x n THR 22 Cb 0.58 -1.27 0.28 0.00 -2.10 0.00 0.00 70.33 67.82 2k1x n THR 22 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k1x n SER 23 N -0.18 4.31 -2.64 3.42 7.64 -1.26 -4.97 113.62 119.94 2k1x n SER 23 Ca 0.44 -2.67 -0.04 0.00 1.01 0.00 0.00 58.87 57.61 2k1x n SER 23 Cb 0.61 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 2k1x n SER 23 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k1x n ASP 24 N 0.41 -2.64 -4.88 6.43 -0.08 -1.26 -4.99 116.55 109.54 2k1x n ASP 24 Ca 0.20 1.38 -0.31 0.00 -1.51 0.00 0.00 54.79 54.56 2k1x n ASP 24 Cb 0.93 -5.29 0.03 0.00 2.34 0.00 0.00 41.12 39.13 2k1x n ASP 24 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2k1x s GLN 25 N -0.96 3.22 0.11 -0.67 1.11 -1.26 -5.08 119.66 116.12 2k1x s GLN 25 Ca -0.21 0.60 -0.02 0.00 0.01 0.00 0.00 55.36 55.74 2k1x s GLN 25 Cb 0.01 -2.05 0.03 0.00 -1.01 0.00 0.00 33.01 29.99 2k1x s GLN 25 CO 0.79 -0.81 0.11 -0.35 0.01 0.00 0.00 175.29 175.04 2k1x n PRO 26 N -2.88 -0.87 -2.18 2.91 -0.04 -1.26 -4.99 135.00 125.68 2k1x n PRO 26 Ca 0.06 -0.17 -0.27 0.00 -0.04 0.00 0.00 63.50 63.08 2k1x n PRO 26 Cb 0.56 -0.14 0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 -2.86 1.65 -0.49 0.55 0.00 -1.26 -4.90 107.32 100.00 2k1x s GLY 27 Ca 0.07 -0.76 -0.22 0.00 0.00 0.00 0.00 44.72 43.81 2k1x s GLY 27 CO 0.05 -0.38 0.75 0.00 0.00 0.00 0.00 173.10 173.52 2k1x s ALA 28 N -3.23 3.29 0.00 3.20 0.00 -1.26 -4.59 121.76 119.18 2k1x s ALA 28 Ca 0.58 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2k1x s ALA 28 Cb -0.11 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2k1x s ALA 28 CO 0.46 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.59 2k1x n GLY 29 N 5.08 -0.18 1.47 0.00 0.00 -1.26 -3.07 105.19 107.23 2k1x n GLY 29 Ca -0.01 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.02 0.82 0.00 1.61 8.00 -1.26 -3.78 116.55 121.91 2k1x n ASP 30 Ca 0.00 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.50 2k1x n ASP 30 Cb 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 2k1x n ASP 30 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k1x n ASN 31 N 0.44 0.00 -3.41 -2.24 3.02 -1.26 -5.01 115.26 106.80 2k1x n ASN 31 Ca 0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.44 2k1x n ASN 31 Cb 1.10 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 40.23 2k1x n ASN 31 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k1x s LEU 32 N -0.68 0.86 -0.57 3.41 1.02 -1.26 -4.35 118.68 117.12 2k1x s LEU 32 Ca 0.00 -1.37 -0.26 0.00 0.02 0.00 0.00 54.13 52.52 2k1x s LEU 32 Cb 0.00 1.51 -0.06 0.00 0.02 0.00 0.00 46.19 47.66 2k1x s LEU 32 CO 0.00 -1.26 2.24 0.21 0.02 0.00 0.00 176.35 177.56 2k1x s ASN 33 N -3.19 4.64 -0.37 2.29 2.47 -1.24 -4.37 114.94 115.17 2k1x s ASN 33 Ca 0.29 0.72 0.05 0.00 0.42 0.00 0.00 52.86 54.34 2k1x s ASN 33 Cb -0.00 -2.51 0.31 0.00 -1.45 0.00 0.00 41.25 37.59 2k1x s ASN 33 CO 0.18 -2.83 1.30 -0.67 -3.72 0.00 0.00 177.10 171.35 2k1x n ASP 34 N 15.23 -1.57 -4.61 -4.21 2.03 -1.26 -5.03 116.55 117.14 2k1x n ASP 34 Ca 0.33 -2.41 -0.43 0.00 0.52 0.00 0.00 54.79 52.80 2k1x n ASP 34 Cb 0.53 1.37 -0.03 0.00 -0.72 0.00 0.00 41.12 42.27 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 0.11 3.83 -0.30 -0.67 -0.14 -1.26 -4.94 119.74 116.37 2k1x s LYS 35 Ca 0.20 0.64 -0.15 0.00 -1.36 0.00 0.00 55.97 55.29 2k1x s LYS 35 Cb 0.28 -3.83 0.18 0.00 -1.68 0.00 0.00 37.83 32.78 2k1x s LYS 35 CO -0.14 -1.09 1.15 -1.50 -0.76 0.00 0.00 175.35 173.01 2k1x s ILE 36 N 3.82 -0.16 0.00 2.17 2.07 -1.26 -4.61 121.20 123.23 2k1x s ILE 36 Ca 0.42 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.66 2k1x s ILE 36 Cb -0.10 -0.78 0.00 0.00 0.13 0.00 0.00 42.46 41.71 2k1x s ILE 36 CO 0.22 0.00 0.00 -1.54 -1.91 0.00 0.00 174.94 171.71 2k1x n SER 37 N 5.38 0.00 -4.47 4.50 3.41 -1.07 -4.08 113.62 117.29 2k1x n SER 37 Ca -0.04 -0.61 -0.32 0.00 -0.26 0.00 0.00 58.87 57.64 2k1x n SER 37 Cb 0.55 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.37 2k1x n SER 37 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k1x s SER 38 N 0.16 3.98 -0.16 4.04 0.01 -1.10 -2.29 113.70 118.34 2k1x s SER 38 Ca 0.00 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2k1x s SER 38 Cb 0.00 -0.79 0.03 0.00 0.21 0.00 0.00 66.02 65.47 2k1x s SER 38 CO 0.00 0.32 -0.12 -0.63 0.41 0.00 0.00 173.24 173.21 2k1x s ILE 39 N -0.79 1.56 -0.05 1.44 1.09 0.60 -1.47 121.20 123.58 2k1x s ILE 39 Ca 0.13 -0.74 0.05 0.00 -1.10 0.00 0.00 60.65 58.98 2k1x s ILE 39 Cb -0.11 -1.53 -0.01 0.00 -1.06 0.00 0.00 42.46 39.75 2k1x s ILE 39 CO 0.02 0.36 -0.20 -0.75 -0.10 0.00 0.00 174.94 174.26 2k1x s LYS 40 N 1.47 2.11 -0.01 2.79 2.20 -1.09 -1.60 119.74 125.61 2k1x s LYS 40 Ca 0.03 -0.72 0.04 0.00 -0.36 0.00 0.00 55.97 54.96 2k1x s LYS 40 Cb -0.14 -1.80 -0.01 0.00 -1.51 0.00 0.00 37.83 34.37 2k1x s LYS 40 CO -0.10 0.29 -0.14 0.08 -0.36 0.00 0.00 175.35 175.12 2k1x s VAL 41 N -0.02 1.11 -0.27 4.02 1.01 -1.04 -3.52 120.40 121.70 2k1x s VAL 41 Ca -0.04 -0.59 0.20 0.00 0.00 0.00 0.00 61.98 61.54 2k1x s VAL 41 Cb -0.13 -0.93 0.47 0.00 0.00 0.00 0.00 36.38 35.79 2k1x s VAL 41 CO 0.03 0.32 1.23 1.17 0.00 0.00 0.00 175.10 177.85 2k1x n LYS 42 N 2.78 1.52 0.00 2.72 0.00 -1.25 -2.67 118.16 121.26 2k1x n LYS 42 Ca -0.15 -2.75 0.00 0.00 0.00 0.00 0.00 58.31 55.42 2k1x n LYS 42 Cb 0.55 -0.92 0.00 0.00 0.00 0.00 0.00 35.03 34.66 2k1x n LYS 42 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2k1x n SER 43 N -0.81 0.00 0.00 3.14 2.88 -1.26 -4.78 113.62 112.79 2k1x n SER 43 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2k1x n SER 43 Cb 0.84 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 2k1x n SER 43 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k1x n GLY 44 N 0.00 0.91 3.12 0.46 0.00 -1.26 -4.70 105.19 103.72 2k1x n GLY 44 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 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 0.19 0.45 2.61 -4.23 -1.25 -4.37 115.64 109.03 2k1x s THR 45 Ca 0.00 -1.54 0.03 0.00 -1.18 0.00 0.00 61.69 59.00 2k1x s THR 45 Cb 0.00 -1.39 -0.03 0.00 1.34 0.00 0.00 72.50 72.42 2k1x s THR 45 CO 0.00 -0.85 0.05 0.26 -0.54 0.00 0.00 174.62 173.53 2k1x s TRP 46 N -3.74 1.93 -0.14 3.99 0.51 -1.19 -4.17 118.94 116.13 2k1x s TRP 46 Ca 0.05 -1.02 0.01 0.00 -2.12 0.00 0.00 56.10 53.02 2k1x s TRP 46 Cb 0.06 -1.46 0.02 0.00 -0.81 0.00 0.00 33.47 31.27 2k1x s TRP 46 CO -0.10 0.07 -0.16 1.03 -0.51 0.00 0.00 176.95 177.29 2k1x s ARG 47 N -3.81 2.41 -0.20 4.98 3.00 -1.23 -1.99 118.95 122.11 2k1x s ARG 47 Ca 0.17 -0.61 -0.05 0.00 0.00 0.00 0.00 55.73 55.24 2k1x s ARG 47 Cb 0.04 -2.12 -0.03 0.00 0.00 0.00 0.00 34.95 32.84 2k1x s ARG 47 CO 0.09 -0.16 0.01 -0.06 0.00 0.00 0.00 175.30 175.18 2k1x s PHE 48 N 1.26 3.07 -0.03 -0.53 0.08 0.59 -2.83 117.98 119.59 2k1x s PHE 48 Ca 0.01 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 2k1x s PHE 48 Cb -0.14 -2.08 0.03 0.00 -0.57 0.00 0.00 43.02 40.26 2k1x s PHE 48 CO -0.07 -0.15 0.05 1.52 -0.10 0.00 0.00 175.22 176.46 2k1x s TYR 49 N 0.86 0.02 -0.82 0.36 -0.85 -0.71 -1.14 117.35 115.06 2k1x s TYR 49 Ca 0.01 0.20 -0.13 0.00 -0.52 0.00 0.00 57.07 56.63 2k1x s TYR 49 Cb -0.14 -0.30 0.22 0.00 0.38 0.00 0.00 41.96 42.12 2k1x s TYR 49 CO 0.02 -0.13 0.76 -2.00 -1.52 0.00 0.00 175.55 172.68 2k1x s GLU 50 N 1.43 3.56 0.00 -3.49 -6.30 -1.26 -1.02 118.70 111.62 2k1x s GLU 50 Ca -0.05 -2.48 0.00 0.00 -2.50 0.00 0.00 54.97 49.94 2k1x s GLU 50 Cb -0.13 -4.39 0.00 0.00 0.00 0.00 0.00 34.13 29.61 2k1x s GLU 50 CO -0.03 -1.28 0.00 0.66 0.02 0.00 0.00 175.26 174.62 2k1x n TYR 51 N 3.92 0.00 -0.58 5.30 4.01 0.99 -4.40 117.16 126.40 2k1x n TYR 51 Ca 0.14 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.60 2k1x n TYR 51 Cb 0.46 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.67 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 4.16 0.00 -1.31 -0.72 -6.64 -1.26 -4.36 119.36 109.23 2k1x n ILE 52 Ca 0.00 -0.20 -0.22 0.00 -1.77 0.00 0.00 62.75 60.56 2k1x n ILE 52 Cb 0.00 -0.61 -0.10 0.00 -1.44 0.00 0.00 39.64 37.49 2k1x n ILE 52 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 2k1x n ASN 53 N -2.00 6.06 0.00 7.28 2.85 -1.26 -3.73 115.26 124.45 2k1x n ASN 53 Ca 0.03 -2.93 0.00 0.00 -0.11 0.00 0.00 54.58 51.58 2k1x n ASN 53 Cb 0.54 -1.31 0.00 0.00 1.24 0.00 0.00 39.78 40.25 2k1x n ASN 53 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k1x n TYR 54 N 1.53 0.00 -2.90 1.20 0.18 -1.26 -5.16 117.16 110.75 2k1x n TYR 54 Ca 0.47 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.25 2k1x n TYR 54 Cb 0.68 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.64 2k1x n TYR 54 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k1x n GLY 55 N 0.00 -0.52 1.35 -7.48 0.00 -1.24 -5.18 105.19 92.11 2k1x n GLY 55 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.11 3.58 -0.02 0.00 -1.26 -4.61 105.19 100.77 2k1x n GLY 56 Ca 0.00 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.16 3.53 -0.46 1.61 3.00 -1.26 -4.92 118.95 120.28 2k1x s ARG 57 Ca 0.00 0.34 -0.29 0.00 -1.00 0.00 0.00 55.73 54.78 2k1x s ARG 57 Cb 0.00 -4.01 0.02 0.00 0.00 0.00 0.00 34.95 30.96 2k1x s ARG 57 CO 0.00 -1.66 1.27 -0.47 0.00 0.00 0.00 175.30 174.44 2k1x s TYR 58 N 5.00 2.60 -0.23 5.12 5.04 -1.26 -4.00 117.35 129.61 2k1x s TYR 58 Ca 0.45 0.66 -0.04 0.00 -2.44 0.00 0.00 57.07 55.71 2k1x s TYR 58 Cb -0.08 -4.40 0.08 0.00 0.35 0.00 0.00 41.96 37.91 2k1x s TYR 58 CO 0.27 -1.63 0.09 -0.46 -1.34 0.00 0.00 175.55 172.48 2k1x s TRP 59 N 5.00 0.57 -0.00 4.97 -0.00 -0.30 -4.99 118.94 124.19 2k1x s TRP 59 Ca 0.53 -0.78 -0.20 0.00 -0.00 0.00 0.00 56.10 55.66 2k1x s TRP 59 Cb -0.10 -0.94 -0.05 0.00 -0.00 0.00 0.00 33.47 32.37 2k1x s TRP 59 CO 0.31 -0.68 0.57 0.16 -0.00 0.00 0.00 176.95 177.31 2k1x s ASP 60 N 2.01 6.95 0.34 5.86 -4.77 -1.26 -0.30 116.67 125.51 2k1x s ASP 60 Ca 0.05 1.14 0.06 0.00 -3.30 0.00 0.00 52.55 50.49 2k1x s ASP 60 Cb -0.16 -2.35 -0.01 0.00 -1.09 0.00 0.00 42.92 39.31 2k1x s ASP 60 CO -0.20 0.13 0.49 -1.48 0.70 0.00 0.00 175.17 174.81 2k1x s LEU 61 N -0.31 3.95 0.00 2.11 2.34 -0.84 -4.95 118.68 120.98 2k1x s LEU 61 Ca 0.30 -0.10 0.02 0.00 0.06 0.00 0.00 54.13 54.41 2k1x s LEU 61 Cb -0.18 -2.82 -0.01 0.00 -0.56 0.00 0.00 46.19 42.62 2k1x s LEU 61 CO 0.17 -0.44 0.08 0.61 -1.06 0.00 0.00 176.35 175.70 2k1x n GLY 62 N -1.69 3.66 3.63 -3.48 0.00 -1.26 -3.15 105.19 102.90 2k1x n GLY 62 Ca -0.01 -2.02 -0.51 0.00 0.00 0.00 0.00 46.02 43.48 2k1x n GLY 62 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k1x n PRO 63 N -0.48 1.64 0.00 1.61 -0.02 -1.26 -4.62 135.00 131.87 2k1x n PRO 63 Ca -0.03 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2k1x n PRO 63 Cb 0.32 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 4.96 3.54 3.44 -1.23 0.00 -1.09 -4.97 105.19 109.85 2k1x n GLY 64 Ca 0.29 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.23 2.98 0.16 1.61 -6.30 -1.26 -2.49 118.70 111.17 2k1x s GLU 65 Ca 0.00 -0.67 -0.22 0.00 -2.50 0.00 0.00 54.97 51.57 2k1x s GLU 65 Cb 0.00 -2.53 0.07 0.00 0.00 0.00 0.00 34.13 31.66 2k1x s GLU 65 CO 0.00 0.42 0.58 1.52 0.02 0.00 0.00 175.26 177.81 2k1x s TYR 66 N -0.19 -0.51 -0.44 5.30 -0.85 -0.63 -5.01 117.35 115.02 2k1x s TYR 66 Ca 0.00 0.30 -0.08 0.00 -0.52 0.00 0.00 57.07 56.77 2k1x s TYR 66 Cb -0.13 0.54 0.11 0.00 0.38 0.00 0.00 41.96 42.85 2k1x s TYR 66 CO 0.03 -0.84 0.29 -1.12 -1.52 0.00 0.00 175.55 172.39 2k1x s SER 67 N -2.75 5.58 0.06 -0.18 0.01 -1.26 -0.29 113.70 114.86 2k1x s SER 67 Ca 0.01 -1.83 -0.25 0.00 1.31 0.00 0.00 55.95 55.20 2k1x s SER 67 Cb -0.01 -1.96 -0.06 0.00 0.21 0.00 0.00 66.02 64.20 2k1x s SER 67 CO -0.13 -0.62 0.76 -0.55 0.41 0.00 0.00 173.24 173.11 2k1x s SER 68 N 2.34 7.22 0.00 2.44 0.15 -0.97 -4.93 113.70 119.95 2k1x s SER 68 Ca 0.05 1.45 0.06 0.00 0.70 0.00 0.00 55.95 58.21 2k1x s SER 68 Cb -0.25 -2.46 0.09 0.00 -1.71 0.00 0.00 66.02 61.69 2k1x s SER 68 CO -0.01 0.04 0.90 1.33 1.20 0.00 0.00 173.24 176.70 2k1x n VAL 69 N 2.66 0.00 0.00 4.45 0.24 -1.26 -2.58 118.33 121.84 2k1x n VAL 69 Ca -0.03 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2k1x n VAL 69 Cb 0.50 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 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 0.11 0.00 0.15 7.34 0.28 -1.26 -4.91 120.64 122.34 2k1x n GLU 70 Ca -0.05 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.00 2k1x n GLU 70 Cb 0.74 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.66 2k1x n GLU 70 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2k1x h SER 71 N 0.00 0.00 0.00 -1.84 0.87 -1.95 -3.38 113.55 107.25 2k1x h SER 71 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k1x h SER 71 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2k1x h SER 71 CO 0.00 0.40 -0.12 0.00 -0.53 0.00 0.00 176.83 176.58 2k1x h ALA 72 N 1.60 0.00 0.00 6.23 0.00 -1.93 -3.50 119.26 121.66 2k1x h ALA 72 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k1x h ALA 72 Cb 1.31 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2k1x h ALA 72 CO 0.05 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2k1x n GLY 73 N 1.79 2.07 2.40 0.00 0.00 -1.26 -4.74 105.19 105.45 2k1x n GLY 73 Ca -0.02 0.31 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 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 2.03 -0.59 -0.61 2.08 -1.26 -4.67 119.36 116.34 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 -2.07 0.00 0.00 -0.75 0.00 0.00 39.64 36.82 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 0.88 0.29 0.03 0.38 -0.04 -1.26 -5.00 135.00 130.29 2k1x n PRO 75 Ca 0.29 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.68 2k1x n PRO 75 Cb 0.42 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.76 2k1x n PRO 75 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2k1x h ASP 76 N -0.08 0.00 -5.27 3.54 3.32 -1.98 -3.43 116.42 112.52 2k1x h ASP 76 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2k1x h ASP 76 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 2k1x h ASP 76 CO 0.00 0.98 -0.50 0.21 -1.72 0.00 0.00 179.24 178.21 2k1x s ASN 77 N -6.48 0.24 -0.04 6.45 2.47 -1.26 -3.68 114.94 112.63 2k1x s ASN 77 Ca -0.01 -0.93 -0.30 0.00 0.42 0.00 0.00 52.86 52.04 2k1x s ASN 77 Cb 0.09 0.32 -0.06 0.00 -1.45 0.00 0.00 41.25 40.15 2k1x s ASN 77 CO 0.82 -0.74 1.78 -0.44 -3.72 0.00 0.00 177.10 174.80 2k1x s SER 78 N -2.95 6.52 0.00 -4.21 0.01 -1.26 -4.74 113.70 107.07 2k1x s SER 78 Ca 0.13 2.32 0.04 0.00 1.31 0.00 0.00 55.95 59.75 2k1x s SER 78 Cb 0.06 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.82 2k1x s SER 78 CO -0.05 -1.04 0.85 2.30 0.41 0.00 0.00 173.24 175.71 2k1x n ILE 79 N 5.67 0.00 -4.07 1.44 -5.35 -1.25 -4.80 119.36 111.00 2k1x n ILE 79 Ca 0.19 -0.15 -0.23 0.00 -0.27 0.00 0.00 62.75 62.29 2k1x n ILE 79 Cb 0.42 0.40 -0.06 0.00 -1.74 0.00 0.00 39.64 38.66 2k1x n ILE 79 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2k1x s SER 80 N -0.79 4.78 -0.01 7.28 0.15 -1.25 -0.01 113.70 123.86 2k1x s SER 80 Ca 0.05 -0.71 -0.28 0.00 0.70 0.00 0.00 55.95 55.71 2k1x s SER 80 Cb 0.06 -0.79 0.10 0.00 -1.71 0.00 0.00 66.02 63.68 2k1x s SER 80 CO -0.03 -0.28 0.83 -0.44 1.20 0.00 0.00 173.24 174.53 2k1x s SER 81 N -3.85 -0.43 -0.15 5.45 0.01 -0.19 -4.07 113.70 110.47 2k1x s SER 81 Ca 0.38 0.14 -0.11 0.00 1.31 0.00 0.00 55.95 57.66 2k1x s SER 81 Cb -0.03 0.42 0.05 0.00 0.21 0.00 0.00 66.02 66.67 2k1x s SER 81 CO 0.23 -0.64 0.38 0.72 0.41 0.00 0.00 173.24 174.35 2k1x s PHE 82 N -2.70 -0.48 -0.24 2.43 -0.71 -1.26 -1.74 117.98 113.27 2k1x s PHE 82 Ca 0.02 1.10 -0.19 0.00 -1.04 0.00 0.00 56.93 56.81 2k1x s PHE 82 Cb -0.01 0.18 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 2k1x s PHE 82 CO -0.06 -0.25 0.58 1.03 -1.34 0.00 0.00 175.22 175.18 2k1x s ARG 83 N 0.69 4.12 -0.89 1.99 1.81 -1.13 -4.71 118.95 120.82 2k1x s ARG 83 Ca -0.04 0.47 -0.25 0.00 -1.72 0.00 0.00 55.73 54.19 2k1x s ARG 83 Cb -0.05 -3.63 0.04 0.00 -0.45 0.00 0.00 34.95 30.85 2k1x s ARG 83 CO -0.05 -0.35 1.40 -0.65 -0.68 0.00 0.00 175.30 174.98 2k1x s GLN 84 N 2.29 3.38 0.00 3.54 -0.21 -1.26 -3.58 119.66 123.82 2k1x s GLN 84 Ca 0.25 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.93 2k1x s GLN 84 Cb -0.16 -4.84 0.00 0.00 1.00 0.00 0.00 33.01 29.01 2k1x s GLN 84 CO 0.09 -2.22 0.45 0.44 -2.12 0.00 0.00 175.29 171.92