#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 0.51 -0.46 7.83 4.22 -1.26 -5.06 114.94 120.72 2k1x s ASN 2 Ca 0.00 0.35 0.07 0.00 -2.14 0.00 0.00 52.86 51.14 2k1x s ASN 2 Cb 0.00 0.80 0.27 0.00 1.28 0.00 0.00 41.25 43.60 2k1x s ASN 2 CO 0.00 -0.27 0.89 0.00 -2.04 0.00 0.00 177.10 175.68 2k1x n ALA 3 N 5.35 -0.44 -3.15 3.54 0.00 -1.26 -5.08 120.51 119.47 2k1x n ALA 3 Ca -0.06 -1.85 0.05 0.00 0.00 0.00 0.00 53.44 51.58 2k1x n ALA 3 Cb 0.50 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 2k1x n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k1x s ALA 4 N 0.08 -3.57 -0.28 0.00 0.00 -1.26 -5.03 121.76 111.70 2k1x s ALA 4 Ca 0.30 1.37 -0.20 0.00 0.00 0.00 0.00 51.96 53.43 2k1x s ALA 4 Cb 0.25 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.69 2k1x s ALA 4 CO -0.16 -1.82 0.63 -1.21 0.00 0.00 0.00 175.76 173.19 2k1x s GLU 5 N 2.94 4.01 -0.32 0.00 2.02 -1.26 -4.82 118.70 121.27 2k1x s GLU 5 Ca 0.16 0.43 -0.05 0.00 0.02 0.00 0.00 54.97 55.52 2k1x s GLU 5 Cb -0.06 -3.69 0.03 0.00 0.10 0.00 0.00 34.13 30.52 2k1x s GLU 5 CO -0.19 -0.49 0.07 0.08 0.02 0.00 0.00 175.26 174.75 2k1x s VAL 6 N 2.55 3.62 -0.35 2.63 1.01 -1.26 -4.34 120.40 124.26 2k1x s VAL 6 Ca 0.26 -1.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 2k1x s VAL 6 Cb -0.15 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.25 2k1x s VAL 6 CO 0.10 -0.09 0.16 -0.51 0.00 0.00 0.00 175.10 174.76 2k1x s ILE 7 N 1.39 4.28 -0.01 2.22 1.10 -1.21 -4.21 121.20 124.76 2k1x s ILE 7 Ca -0.01 -0.90 0.03 0.00 -0.51 0.00 0.00 60.65 59.26 2k1x s ILE 7 Cb -0.19 -3.37 -0.01 0.00 0.15 0.00 0.00 42.46 39.05 2k1x s ILE 7 CO 0.02 -0.17 -0.11 -0.69 -2.11 0.00 0.00 174.94 171.88 2k1x s VAL 8 N 1.51 0.86 -0.06 4.00 1.01 -1.15 -2.52 120.40 124.04 2k1x s VAL 8 Ca 0.01 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 2k1x s VAL 8 Cb -0.19 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 2k1x s VAL 8 CO 0.05 0.25 0.36 -0.31 0.00 0.00 0.00 175.10 175.45 2k1x s TYR 9 N -0.13 3.64 -0.51 5.22 1.51 -1.06 -3.00 117.35 123.02 2k1x s TYR 9 Ca 0.02 0.86 -0.02 0.00 -1.01 0.00 0.00 57.07 56.92 2k1x s TYR 9 Cb -0.06 -2.28 0.27 0.00 -0.11 0.00 0.00 41.96 39.78 2k1x s TYR 9 CO -0.00 0.54 2.17 -1.91 -1.11 0.00 0.00 175.55 175.24 2k1x n GLU 10 N 2.34 2.28 -3.27 -0.62 2.13 0.67 -3.84 120.64 120.33 2k1x n GLU 10 Ca -0.14 -2.44 0.00 0.00 0.66 0.00 0.00 57.16 55.25 2k1x n GLU 10 Cb 0.53 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 30.25 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 -0.02 0.00 -0.93 4.31 8.25 -1.26 -4.53 115.22 121.03 2k1x n HIS 11 Ca 0.46 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.61 2k1x n HIS 11 Cb 0.56 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.81 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 -3.00 2.57 -0.73 1.59 1.01 -1.26 -3.06 120.40 117.53 2k1x s VAL 12 Ca 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 2k1x s VAL 12 Cb 0.00 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.96 2k1x s VAL 12 CO 0.00 -0.24 2.86 -3.20 0.00 0.00 0.00 175.10 174.51 2k1x n ASN 13 N -3.99 6.91 -0.51 3.32 5.15 -1.26 -3.60 115.26 121.28 2k1x n ASN 13 Ca 0.10 -2.98 -0.01 0.00 -0.60 0.00 0.00 54.58 51.09 2k1x n ASN 13 Cb 0.53 -1.34 -0.01 0.00 -0.53 0.00 0.00 39.78 38.43 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 1.71 0.00 0.00 1.20 -1.74 -1.26 -5.03 117.46 112.34 2k1x n PHE 14 Ca 0.55 -0.06 0.00 0.00 -0.56 0.00 0.00 57.45 57.37 2k1x n PHE 14 Cb 0.51 0.27 0.00 0.00 1.52 0.00 0.00 39.48 41.78 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 -0.36 3.28 4.97 0.00 -1.24 -5.18 105.19 106.66 2k1x n GLY 15 Ca -0.03 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 1.43 -0.08 -0.02 0.00 -1.24 -4.67 107.32 102.75 2k1x s GLY 16 Ca 0.00 -1.63 -0.16 0.00 0.00 0.00 0.00 44.72 42.94 2k1x s GLY 16 CO 0.00 -1.29 0.41 -1.59 0.00 0.00 0.00 173.10 170.63 2k1x s LYS 17 N -4.00 4.14 0.17 2.90 0.00 -1.26 -4.93 119.74 116.75 2k1x s LYS 17 Ca 0.37 0.36 0.11 0.00 0.00 0.00 0.00 55.97 56.80 2k1x s LYS 17 Cb 0.05 -3.34 -0.04 0.00 0.00 0.00 0.00 37.83 34.50 2k1x s LYS 17 CO 0.14 0.41 -0.21 -1.54 0.00 0.00 0.00 175.35 174.14 2k1x s SER 18 N -0.14 3.63 -0.10 0.03 1.04 -1.26 -0.24 113.70 116.65 2k1x s SER 18 Ca 0.23 -0.76 -0.11 0.00 0.48 0.00 0.00 55.95 55.79 2k1x s SER 18 Cb -0.15 -0.37 0.03 0.00 0.10 0.00 0.00 66.02 65.62 2k1x s SER 18 CO 0.10 0.13 0.31 0.72 0.98 0.00 0.00 173.24 175.48 2k1x s PHE 19 N -1.51 -0.31 -0.43 5.02 -0.12 -1.16 -5.00 117.98 114.46 2k1x s PHE 19 Ca 0.20 0.75 0.07 0.00 -0.05 0.00 0.00 56.93 57.89 2k1x s PHE 19 Cb -0.09 0.11 0.23 0.00 -0.63 0.00 0.00 43.02 42.64 2k1x s PHE 19 CO 0.10 -0.19 0.49 -3.47 -0.05 0.00 0.00 175.22 172.10 2k1x n ASP 20 N 2.69 0.36 -4.71 1.98 -0.08 -1.26 -2.96 116.55 112.58 2k1x n ASP 20 Ca -0.14 -2.68 -0.42 0.00 -1.51 0.00 0.00 54.79 50.04 2k1x n ASP 20 Cb 0.58 -0.62 -0.03 0.00 2.34 0.00 0.00 41.12 43.38 2k1x n ASP 20 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k1x s ALA 21 N -0.96 3.19 -0.46 -1.67 0.00 -1.26 -4.85 121.76 115.75 2k1x s ALA 21 Ca 0.35 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 2k1x s ALA 21 Cb 0.13 -3.32 0.31 0.00 0.00 0.00 0.00 23.12 20.23 2k1x s ALA 21 CO -0.13 -0.25 2.03 -2.37 0.00 0.00 0.00 175.76 175.04 2k1x n THR 22 N 3.95 3.14 -2.73 0.00 5.66 -1.26 -4.28 114.28 118.75 2k1x n THR 22 Ca 0.06 -2.19 -0.08 0.00 -3.05 0.00 0.00 64.05 58.79 2k1x n THR 22 Cb 0.51 -1.27 0.10 0.00 -1.55 0.00 0.00 70.33 68.12 2k1x n THR 22 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2k1x n SER 23 N -0.17 -1.80 -2.18 1.09 7.64 -1.26 -4.89 113.62 112.06 2k1x n SER 23 Ca 0.44 -3.00 -0.01 0.00 1.01 0.00 0.00 58.87 57.31 2k1x n SER 23 Cb 0.61 1.24 -0.01 0.00 -1.01 0.00 0.00 64.21 65.04 2k1x n SER 23 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k1x n ASP 24 N -0.15 -5.98 -4.88 6.43 8.00 -1.26 -5.00 116.55 113.71 2k1x n ASP 24 Ca 0.02 1.40 -0.30 0.00 0.71 0.00 0.00 54.79 56.62 2k1x n ASP 24 Cb 0.78 -4.45 0.03 0.00 -0.02 0.00 0.00 41.12 37.46 2k1x n ASP 24 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2k1x s GLN 25 N -0.84 3.14 0.55 -1.24 -0.21 -1.26 -4.92 119.66 114.88 2k1x s GLN 25 Ca -0.07 0.58 0.36 0.00 0.02 0.00 0.00 55.36 56.25 2k1x s GLN 25 Cb 0.00 -2.04 1.53 0.00 1.00 0.00 0.00 33.01 33.50 2k1x s GLN 25 CO 0.19 -0.86 1.78 -1.35 -2.12 0.00 0.00 175.29 172.93 2k1x h PRO 26 N -0.53 0.00 0.00 2.91 0.11 -1.98 -3.47 132.00 129.04 2k1x h PRO 26 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2k1x h PRO 26 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2k1x h PRO 26 CO 0.63 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 2k1x n GLY 27 N -1.75 -0.88 3.63 -0.55 0.00 -1.26 -4.68 105.19 99.70 2k1x n GLY 27 Ca 0.25 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 2k1x n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1x s ALA 28 N -1.61 3.60 0.00 4.61 0.00 -1.26 -4.82 121.76 122.28 2k1x s ALA 28 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2k1x s ALA 28 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2k1x s ALA 28 CO 0.00 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2k1x n GLY 29 N 4.10 0.05 1.91 0.00 0.00 -1.26 -4.70 105.19 105.29 2k1x n GLY 29 Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.47 4.38 -3.28 1.61 9.92 -1.26 -4.97 116.55 121.48 2k1x n ASP 30 Ca 0.00 -3.12 -0.26 0.00 -0.53 0.00 0.00 54.79 50.88 2k1x n ASP 30 Cb 0.00 -0.73 0.23 0.00 -0.64 0.00 0.00 41.12 39.98 2k1x n ASP 30 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2k1x n ASN 31 N -0.22 -3.03 0.00 -2.24 3.02 -1.26 -4.99 115.26 106.54 2k1x n ASN 31 Ca 0.39 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 2k1x n ASN 31 Cb 1.31 -0.85 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 2k1x n ASN 31 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2k1x n LEU 32 N 0.00 0.00 0.00 3.41 7.94 -1.22 -4.92 117.00 122.21 2k1x n LEU 32 Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 2k1x n LEU 32 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2k1x n LEU 32 CO 0.34 0.00 0.00 -3.20 -1.11 0.00 0.00 177.39 173.42 2k1x n ASN 33 N -0.24 0.00 -3.19 1.96 5.15 -1.26 -0.81 115.26 116.87 2k1x n ASN 33 Ca 0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 2k1x n ASN 33 Cb 0.00 0.01 -0.04 0.00 -0.53 0.00 0.00 39.78 39.22 2k1x n ASN 33 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k1x n ASP 34 N -1.53 8.04 -4.67 1.20 2.03 -1.26 -4.50 116.55 115.86 2k1x n ASP 34 Ca 0.00 -2.53 -0.35 0.00 0.52 0.00 0.00 54.79 52.43 2k1x n ASP 34 Cb 0.00 -1.49 -0.09 0.00 -0.72 0.00 0.00 41.12 38.82 2k1x n ASP 34 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2k1x s LYS 35 N 2.21 3.70 -0.26 -0.67 -2.85 -1.26 -5.08 119.74 115.54 2k1x s LYS 35 Ca 0.66 -0.33 -0.02 0.00 -1.00 0.00 0.00 55.97 55.28 2k1x s LYS 35 Cb 0.18 -3.12 0.15 0.00 -2.06 0.00 0.00 37.83 32.98 2k1x s LYS 35 CO -0.05 0.43 0.42 0.96 0.10 0.00 0.00 175.35 177.21 2k1x s ILE 36 N -0.07 -0.69 0.00 3.79 -4.36 -1.26 -4.87 121.20 113.74 2k1x s ILE 36 Ca 0.06 -0.06 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 2k1x s ILE 36 Cb -0.12 -0.86 0.00 0.00 1.25 0.00 0.00 42.46 42.73 2k1x s ILE 36 CO 0.01 -0.10 0.00 -1.54 0.24 0.00 0.00 174.94 173.55 2k1x n SER 37 N 5.38 0.00 -4.32 4.36 3.41 -1.25 -4.00 113.62 117.20 2k1x n SER 37 Ca -0.03 -0.83 -0.24 0.00 -0.26 0.00 0.00 58.87 57.51 2k1x n SER 37 Cb 0.50 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.50 2.75 -0.02 4.04 0.01 -1.17 -3.49 113.70 115.30 2k1x s SER 38 Ca 0.00 -0.77 0.07 0.00 1.31 0.00 0.00 55.95 56.57 2k1x s SER 38 Cb 0.00 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 2k1x s SER 38 CO 0.00 0.05 -0.25 -0.63 0.41 0.00 0.00 173.24 172.82 2k1x s ILE 39 N -1.48 1.96 -0.04 1.44 1.09 0.49 -2.58 121.20 122.09 2k1x s ILE 39 Ca 0.11 -1.05 -0.00 0.00 -1.10 0.00 0.00 60.65 58.61 2k1x s ILE 39 Cb -0.08 -1.63 0.03 0.00 -1.06 0.00 0.00 42.46 39.71 2k1x s ILE 39 CO 0.06 0.55 0.02 -0.75 -0.10 0.00 0.00 174.94 174.72 2k1x s LYS 40 N -0.52 0.25 -0.02 2.79 2.20 -1.05 -1.69 119.74 121.70 2k1x s LYS 40 Ca 0.08 0.16 0.05 0.00 -0.36 0.00 0.00 55.97 55.90 2k1x s LYS 40 Cb -0.10 -0.56 -0.01 0.00 -1.51 0.00 0.00 37.83 35.65 2k1x s LYS 40 CO -0.00 -0.21 -0.19 0.54 -0.36 0.00 0.00 175.35 175.13 2k1x s VAL 41 N 1.45 1.48 -0.25 4.02 0.11 -1.23 -3.29 120.40 122.69 2k1x s VAL 41 Ca -0.04 -0.79 0.23 0.00 -2.93 0.00 0.00 61.98 58.45 2k1x s VAL 41 Cb -0.13 -1.24 0.50 0.00 -1.53 0.00 0.00 36.38 33.98 2k1x s VAL 41 CO -0.03 0.42 1.13 0.29 -3.33 0.00 0.00 175.10 173.58 2k1x n LYS 42 N 2.73 1.61 0.00 1.54 4.76 -1.26 -3.81 118.16 123.72 2k1x n LYS 42 Ca -0.16 -3.32 0.00 0.00 -2.87 0.00 0.00 58.31 51.96 2k1x n LYS 42 Cb 0.53 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 2k1x n LYS 42 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2k1x n SER 43 N -0.57 0.00 0.00 4.39 2.88 -1.26 -4.87 113.62 114.19 2k1x n SER 43 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2k1x n SER 43 Cb 0.82 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 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 0.75 3.24 0.46 0.00 -1.26 -4.87 105.19 103.51 2k1x n GLY 44 Ca 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 0.12 0.46 2.61 -4.23 -1.26 -4.37 115.64 108.96 2k1x s THR 45 Ca 0.00 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 2k1x s THR 45 Cb 0.00 -1.36 -0.02 0.00 1.34 0.00 0.00 72.50 72.46 2k1x s THR 45 CO 0.00 -0.54 0.06 0.26 -0.54 0.00 0.00 174.62 173.85 2k1x s TRP 46 N -3.86 1.87 -0.23 3.99 0.51 -1.12 -4.16 118.94 115.94 2k1x s TRP 46 Ca 0.06 -1.08 0.01 0.00 -2.12 0.00 0.00 56.10 52.97 2k1x s TRP 46 Cb 0.04 -1.42 0.05 0.00 -0.81 0.00 0.00 33.47 31.34 2k1x s TRP 46 CO -0.10 0.01 -0.09 1.03 -0.51 0.00 0.00 176.95 177.29 2k1x s ARG 47 N -3.80 1.96 -0.24 4.98 3.00 -1.22 -2.13 118.95 121.51 2k1x s ARG 47 Ca 0.16 -1.03 -0.10 0.00 0.00 0.00 0.00 55.73 54.76 2k1x s ARG 47 Cb 0.03 -2.61 -0.05 0.00 0.00 0.00 0.00 34.95 32.32 2k1x s ARG 47 CO 0.09 -0.52 0.15 -0.06 0.00 0.00 0.00 175.30 174.96 2k1x s PHE 48 N 1.32 3.26 -0.03 -0.53 0.08 0.85 -2.71 117.98 120.23 2k1x s PHE 48 Ca -0.05 0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.12 2k1x s PHE 48 Cb -0.18 -2.27 0.03 0.00 -0.57 0.00 0.00 43.02 40.03 2k1x s PHE 48 CO -0.07 -0.02 0.04 1.52 -0.10 0.00 0.00 175.22 176.60 2k1x s TYR 49 N 1.19 0.04 -0.78 0.36 1.13 -0.72 -0.70 117.35 117.88 2k1x s TYR 49 Ca 0.07 0.17 -0.10 0.00 -1.41 0.00 0.00 57.07 55.80 2k1x s TYR 49 Cb -0.14 -0.32 0.20 0.00 -1.10 0.00 0.00 41.96 40.60 2k1x s TYR 49 CO 0.05 -0.12 0.68 -2.00 -2.51 0.00 0.00 175.55 171.65 2k1x s GLU 50 N 1.45 3.30 0.00 -3.49 2.12 -1.25 -0.91 118.70 119.92 2k1x s GLU 50 Ca -0.04 -2.54 0.00 0.00 0.36 0.00 0.00 54.97 52.75 2k1x s GLU 50 Cb -0.13 -4.21 0.00 0.00 0.26 0.00 0.00 34.13 30.06 2k1x s GLU 50 CO -0.03 -1.25 0.00 0.66 -0.54 0.00 0.00 175.26 174.10 2k1x n TYR 51 N 3.73 0.00 -0.49 5.30 4.01 0.89 -4.38 117.16 126.22 2k1x n TYR 51 Ca 0.13 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.59 2k1x n TYR 51 Cb 0.44 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.68 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 0.64 0.00 1.62 -0.72 -5.35 -1.24 -4.18 119.36 110.13 2k1x n ILE 52 Ca 0.00 -0.22 0.02 0.00 -0.27 0.00 0.00 62.75 62.28 2k1x n ILE 52 Cb 0.00 -0.74 0.05 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 -3.19 0.63 -3.09 7.28 4.13 -1.26 -4.09 115.26 115.67 2k1x n ASN 53 Ca 0.05 -2.00 -0.19 0.00 1.68 0.00 0.00 54.58 54.11 2k1x n ASN 53 Cb 0.54 -0.08 -0.03 0.00 -1.54 0.00 0.00 39.78 38.66 2k1x n ASN 53 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2k1x n TYR 54 N -0.16 -0.89 0.00 3.10 4.02 -1.26 -5.07 117.16 116.90 2k1x n TYR 54 Ca 0.04 -3.24 0.00 0.00 -0.01 0.00 0.00 57.90 54.69 2k1x n TYR 54 Cb 0.10 0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 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 1.15 3.10 3.78 2.72 0.00 -1.26 -5.18 105.19 109.50 2k1x n GLY 55 Ca 0.19 -1.13 0.03 0.00 0.00 0.00 0.00 46.02 45.11 2k1x n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1x s GLY 56 N 0.00 -0.31 -0.67 -0.02 0.00 -1.26 -3.64 107.32 101.42 2k1x s GLY 56 Ca 0.00 0.46 -0.26 0.00 0.00 0.00 0.00 44.72 44.92 2k1x s GLY 56 CO 0.00 2.84 2.17 -1.60 0.00 0.00 0.00 173.10 176.51 2k1x s ARG 57 N -2.15 2.21 -0.39 2.90 3.00 -1.26 -4.91 118.95 118.36 2k1x s ARG 57 Ca 0.22 0.67 -0.29 0.00 -1.00 0.00 0.00 55.73 55.32 2k1x s ARG 57 Cb 0.03 -4.67 0.01 0.00 0.00 0.00 0.00 34.95 30.33 2k1x s ARG 57 CO -0.03 -3.41 1.31 -0.47 0.00 0.00 0.00 175.30 172.70 2k1x s TYR 58 N 11.54 2.59 -0.23 5.12 5.04 -1.26 -3.89 117.35 136.27 2k1x s TYR 58 Ca 0.83 0.76 -0.04 0.00 -2.44 0.00 0.00 57.07 56.18 2k1x s TYR 58 Cb -0.13 -4.19 0.08 0.00 0.35 0.00 0.00 41.96 38.07 2k1x s TYR 58 CO 0.15 -1.72 0.09 -0.46 -1.34 0.00 0.00 175.55 172.28 2k1x s TRP 59 N 4.85 0.52 0.01 4.97 -0.00 0.12 -5.00 118.94 124.41 2k1x s TRP 59 Ca 0.57 -0.72 -0.18 0.00 -0.00 0.00 0.00 56.10 55.76 2k1x s TRP 59 Cb -0.13 -0.91 -0.06 0.00 -0.00 0.00 0.00 33.47 32.37 2k1x s TRP 59 CO 0.29 -0.66 0.52 0.16 -0.00 0.00 0.00 176.95 177.25 2k1x s ASP 60 N 2.03 6.92 -0.06 5.86 -4.77 -1.26 -0.11 116.67 125.29 2k1x s ASP 60 Ca 0.04 1.10 -0.02 0.00 -3.30 0.00 0.00 52.55 50.37 2k1x s ASP 60 Cb -0.16 -2.32 -0.04 0.00 -1.09 0.00 0.00 42.92 39.31 2k1x s ASP 60 CO -0.19 0.22 0.05 -1.48 0.70 0.00 0.00 175.17 174.47 2k1x s LEU 61 N -0.68 3.84 0.00 2.11 0.05 -0.90 -4.93 118.68 118.16 2k1x s LEU 61 Ca 0.27 0.20 0.00 0.00 0.05 0.00 0.00 54.13 54.65 2k1x s LEU 61 Cb -0.18 -2.03 0.00 0.00 -2.05 0.00 0.00 46.19 41.93 2k1x s LEU 61 CO 0.16 0.34 0.00 0.61 -0.55 0.00 0.00 176.35 176.91 2k1x n GLY 62 N 1.74 3.84 3.37 -3.48 0.00 -1.26 -2.79 105.19 106.61 2k1x n GLY 62 Ca -0.17 -2.16 -0.54 0.00 0.00 0.00 0.00 46.02 43.15 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 -0.27 0.67 0.00 1.61 -0.02 -1.26 -4.79 135.00 130.94 2k1x n PRO 63 Ca 0.00 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2k1x n PRO 63 Cb 0.00 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 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 6.90 3.48 3.31 -1.23 0.00 -1.25 -5.05 105.19 111.35 2k1x n GLY 64 Ca 0.47 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 1.70 0.10 1.61 -6.30 -1.26 -3.48 118.70 108.84 2k1x s GLU 65 Ca 0.00 -1.02 -0.10 0.00 -2.50 0.00 0.00 54.97 51.34 2k1x s GLU 65 Cb 0.00 -1.83 0.01 0.00 0.00 0.00 0.00 34.13 32.31 2k1x s GLU 65 CO 0.00 0.47 0.24 1.52 0.02 0.00 0.00 175.26 177.52 2k1x s TYR 66 N -0.77 0.07 -0.41 5.30 -0.85 -0.68 -4.99 117.35 115.02 2k1x s TYR 66 Ca 0.10 -0.47 0.05 0.00 -0.52 0.00 0.00 57.07 56.23 2k1x s TYR 66 Cb -0.10 0.02 0.19 0.00 0.38 0.00 0.00 41.96 42.45 2k1x s TYR 66 CO 0.02 -0.59 0.39 -1.13 -1.52 0.00 0.00 175.55 172.72 2k1x n SER 67 N -0.10 -0.47 -4.87 -0.18 3.41 -1.26 -0.38 113.62 109.77 2k1x n SER 67 Ca -0.15 -2.45 -0.31 0.00 -0.26 0.00 0.00 58.87 55.70 2k1x n SER 67 Cb 0.63 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 64.05 2k1x n SER 67 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k1x s SER 68 N -0.16 6.60 0.00 4.04 0.01 -1.23 -4.93 113.70 118.02 2k1x s SER 68 Ca 0.33 1.14 0.03 0.00 1.31 0.00 0.00 55.95 58.77 2k1x s SER 68 Cb 0.06 -2.32 0.06 0.00 0.21 0.00 0.00 66.02 64.03 2k1x s SER 68 CO -0.18 -0.31 0.82 1.33 0.41 0.00 0.00 173.24 175.31 2k1x n VAL 69 N -0.93 0.00 -2.49 3.43 0.24 -1.26 -3.80 118.33 113.51 2k1x n VAL 69 Ca 0.02 -0.13 -0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2k1x n VAL 69 Cb 0.54 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.27 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 0.06 0.03 0.00 7.34 0.28 -1.26 -5.01 120.64 122.09 2k1x n GLU 70 Ca -0.07 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 2k1x n GLU 70 Cb 0.68 0.02 0.00 0.00 1.43 0.00 0.00 31.44 33.56 2k1x n GLU 70 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2k1x n SER 71 N -0.04 0.00 0.00 -1.84 7.64 -1.26 -5.01 113.62 113.11 2k1x n SER 71 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2k1x n SER 71 Cb 0.51 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2k1x n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k1x n ALA 72 N -1.52 -0.11 -3.05 -0.43 0.00 -1.26 -4.78 120.51 109.37 2k1x n ALA 72 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2k1x n ALA 72 Cb 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 19.45 19.62 2k1x n ALA 72 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k1x s GLY 73 N -0.42 -1.37 -0.45 0.00 0.00 -1.26 -5.07 107.32 98.75 2k1x s GLY 73 Ca 0.00 0.63 0.08 0.00 0.00 0.00 0.00 44.72 45.43 2k1x s GLY 73 CO 0.00 3.91 0.65 0.29 0.00 0.00 0.00 173.10 177.94 2k1x n ILE 74 N 4.17 0.37 -0.07 0.90 -0.00 -1.26 -4.78 119.36 118.69 2k1x n ILE 74 Ca 0.09 -4.52 -0.11 0.00 -0.00 0.00 0.00 62.75 58.21 2k1x n ILE 74 Cb 0.59 -1.59 -0.10 0.00 -0.00 0.00 0.00 39.64 38.54 2k1x n ILE 74 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 2k1x h PRO 75 N 3.74 0.00 0.00 6.28 0.13 -1.95 -3.49 132.00 136.71 2k1x h PRO 75 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2k1x h PRO 75 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2k1x h PRO 75 CO 0.58 0.78 0.00 -0.25 -0.23 0.00 0.00 178.00 178.88 2k1x n ASP 76 N -4.64 0.00 -3.65 1.44 8.00 -1.26 -5.14 116.55 111.31 2k1x n ASP 76 Ca -0.09 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.41 2k1x n ASP 76 Cb 0.38 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.42 2k1x n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k1x s ASN 77 N 0.00 -0.30 0.07 -2.24 2.20 -1.26 -4.58 114.94 108.83 2k1x s ASN 77 Ca 0.00 0.47 -0.26 0.00 -0.94 0.00 0.00 52.86 52.13 2k1x s ASN 77 Cb 0.00 1.11 0.09 0.00 -2.00 0.00 0.00 41.25 40.45 2k1x s ASN 77 CO 0.00 -0.08 1.18 -0.55 -2.94 0.00 0.00 177.10 174.72 2k1x s SER 78 N 1.18 0.00 0.15 3.54 0.15 0.01 -4.96 113.70 113.78 2k1x s SER 78 Ca -0.08 -0.39 0.03 0.00 0.70 0.00 0.00 55.95 56.20 2k1x s SER 78 Cb -0.03 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.54 2k1x s SER 78 CO -0.12 -0.58 0.28 -0.63 1.20 0.00 0.00 173.24 173.39 2k1x s ILE 79 N -2.11 5.26 0.06 6.45 -1.09 -1.26 -3.43 121.20 125.07 2k1x s ILE 79 Ca 0.25 -0.73 -0.21 0.00 -2.23 0.00 0.00 60.65 57.73 2k1x s ILE 79 Cb -0.01 -3.71 0.05 0.00 -1.58 0.00 0.00 42.46 37.20 2k1x s ILE 79 CO 0.02 -0.11 0.49 -0.94 -1.23 0.00 0.00 174.94 173.17 2k1x s SER 80 N -3.26 -0.39 0.01 3.58 1.04 -1.26 -0.08 113.70 113.34 2k1x s SER 80 Ca 0.34 0.07 -0.28 0.00 0.48 0.00 0.00 55.95 56.56 2k1x s SER 80 Cb -0.11 0.48 0.10 0.00 0.10 0.00 0.00 66.02 66.59 2k1x s SER 80 CO 0.28 -0.74 0.82 -0.55 0.98 0.00 0.00 173.24 174.03 2k1x s SER 81 N -2.13 -0.43 -0.15 7.02 0.15 -0.09 -4.57 113.70 113.50 2k1x s SER 81 Ca -0.04 0.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.60 2k1x s SER 81 Cb -0.00 0.43 0.05 0.00 -1.71 0.00 0.00 66.02 64.79 2k1x s SER 81 CO -0.04 -0.67 0.38 0.72 1.20 0.00 0.00 173.24 174.83 2k1x s PHE 82 N -2.89 -0.47 -0.26 3.44 -0.71 -1.26 -1.75 117.98 114.07 2k1x s PHE 82 Ca 0.02 1.09 -0.20 0.00 -1.04 0.00 0.00 56.93 56.80 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 -0.07 -0.25 0.63 1.03 -1.34 0.00 0.00 175.22 175.22 2k1x s ARG 83 N 0.71 4.09 -0.75 1.99 1.81 -1.10 -4.61 118.95 121.09 2k1x s ARG 83 Ca -0.04 0.52 -0.27 0.00 -1.72 0.00 0.00 55.73 54.22 2k1x s ARG 83 Cb -0.05 -3.66 0.03 0.00 -0.45 0.00 0.00 34.95 30.82 2k1x s ARG 83 CO -0.05 -0.43 1.30 -0.65 -0.68 0.00 0.00 175.30 174.79 2k1x s GLN 84 N 2.52 3.19 0.00 3.54 -0.21 -1.26 -3.38 119.66 124.06 2k1x s GLN 84 Ca 0.26 -0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.39 2k1x s GLN 84 Cb -0.15 -4.23 0.00 0.00 1.00 0.00 0.00 33.01 29.63 2k1x s GLN 84 CO 0.09 -2.17 0.31 0.44 -2.12 0.00 0.00 175.29 171.84