#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1x n ASN 2 N 0.00 -2.12 -3.19 7.83 5.15 -1.26 -5.15 115.26 116.51 2k1x n ASN 2 Ca 0.00 -2.37 0.00 0.00 -0.60 0.00 0.00 54.58 51.61 2k1x n ASN 2 Cb 0.00 3.51 -0.02 0.00 -0.53 0.00 0.00 39.78 42.75 2k1x n ASN 2 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k1x s ALA 3 N -2.07 -2.09 -0.09 5.20 0.00 -1.26 -5.08 121.76 116.37 2k1x s ALA 3 Ca 0.18 0.77 -0.08 0.00 0.00 0.00 0.00 51.96 52.84 2k1x s ALA 3 Cb -0.04 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.66 2k1x s ALA 3 CO 0.10 -1.85 0.23 0.00 0.00 0.00 0.00 175.76 174.25 2k1x s ALA 4 N 2.67 -0.57 -0.84 0.00 0.00 -1.26 -5.10 121.76 116.66 2k1x s ALA 4 Ca 0.10 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 52.55 2k1x s ALA 4 Cb -0.10 -0.40 0.11 0.00 0.00 0.00 0.00 23.12 22.73 2k1x s ALA 4 CO -0.25 -0.12 1.06 -2.00 0.00 0.00 0.00 175.76 174.45 2k1x s GLU 5 N 0.22 3.43 -0.15 0.00 2.12 -1.26 -4.46 118.70 118.60 2k1x s GLU 5 Ca -0.01 -1.49 -0.02 0.00 0.36 0.00 0.00 54.97 53.82 2k1x s GLU 5 Cb -0.02 -4.69 -0.02 0.00 0.26 0.00 0.00 34.13 29.65 2k1x s GLU 5 CO -0.00 -1.77 -0.08 0.08 -0.54 0.00 0.00 175.26 172.94 2k1x s VAL 6 N 3.06 3.41 -0.22 3.70 1.01 -1.26 -4.25 120.40 125.83 2k1x s VAL 6 Ca 0.29 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2k1x s VAL 6 Cb -0.09 -2.47 0.06 0.00 0.00 0.00 0.00 36.38 33.87 2k1x s VAL 6 CO -0.03 0.50 -0.05 -0.51 0.00 0.00 0.00 175.10 175.01 2k1x s ILE 7 N 0.50 1.41 0.01 2.22 2.07 -1.23 -3.99 121.20 122.19 2k1x s ILE 7 Ca -0.06 -1.11 0.02 0.00 -1.41 0.00 0.00 60.65 58.08 2k1x s ILE 7 Cb -0.15 -1.69 -0.01 0.00 0.13 0.00 0.00 42.46 40.74 2k1x s ILE 7 CO 0.03 -0.08 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.24 2k1x s VAL 8 N 1.45 0.40 -0.12 4.00 1.01 -1.24 -2.71 120.40 123.20 2k1x s VAL 8 Ca -0.05 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 2k1x s VAL 8 Cb -0.18 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2k1x s VAL 8 CO -0.07 -0.09 0.06 -0.31 0.00 0.00 0.00 175.10 174.70 2k1x s TYR 9 N -0.60 3.34 -0.48 5.22 1.51 -1.08 -1.60 117.35 123.66 2k1x s TYR 9 Ca -0.03 0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 56.30 2k1x s TYR 9 Cb -0.05 -1.89 0.26 0.00 -0.11 0.00 0.00 41.96 40.16 2k1x s TYR 9 CO -0.00 0.51 2.17 -1.91 -1.11 0.00 0.00 175.55 175.21 2k1x n GLU 10 N 2.33 2.22 -3.30 -0.62 2.13 0.88 -3.87 120.64 120.40 2k1x n GLU 10 Ca -0.19 -2.31 0.00 0.00 0.66 0.00 0.00 57.16 55.32 2k1x n GLU 10 Cb 0.54 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.31 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 0.05 0.00 -0.90 4.31 8.25 -1.26 -4.53 115.22 121.14 2k1x n HIS 11 Ca 0.44 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.59 2k1x n HIS 11 Cb 0.57 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.82 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 2.52 -0.74 1.59 1.01 -1.25 -3.14 120.40 117.39 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 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2k1x s VAL 12 CO 0.00 -0.22 2.91 -3.20 0.00 0.00 0.00 175.10 174.59 2k1x n ASN 13 N -3.99 6.91 -0.50 3.32 5.15 -1.26 -3.46 115.26 121.43 2k1x n ASN 13 Ca 0.11 -2.92 -0.01 0.00 -0.60 0.00 0.00 54.58 51.16 2k1x n ASN 13 Cb 0.52 -1.36 -0.01 0.00 -0.53 0.00 0.00 39.78 38.41 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 1.88 0.00 0.00 1.20 -1.74 -1.26 -5.02 117.46 112.52 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 0.52 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 0.00 3.28 4.97 0.00 -1.23 -5.18 105.19 107.03 2k1x n GLY 15 Ca -0.04 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 0.54 -0.02 0.00 -1.23 -4.70 107.32 103.39 2k1x s GLY 16 Ca 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 44.72 43.03 2k1x s GLY 16 CO 0.00 -1.29 0.82 1.25 0.00 0.00 0.00 173.10 173.88 2k1x s LYS 17 N -3.97 3.06 0.15 2.90 2.20 -1.26 -4.90 119.74 117.94 2k1x s LYS 17 Ca 0.37 -0.09 -0.06 0.00 -0.36 0.00 0.00 55.97 55.83 2k1x s LYS 17 Cb 0.05 -2.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.99 2k1x s LYS 17 CO 0.15 -0.50 0.19 -1.54 -0.36 0.00 0.00 175.35 173.29 2k1x s SER 18 N -4.25 0.15 -0.23 1.43 1.04 -1.26 -0.09 113.70 110.49 2k1x s SER 18 Ca 0.51 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.94 2k1x s SER 18 Cb -0.10 0.38 0.06 0.00 0.10 0.00 0.00 66.02 66.46 2k1x s SER 18 CO 0.43 -0.83 -0.07 -0.36 0.98 0.00 0.00 173.24 173.39 2k1x s PHE 19 N -4.00 2.48 -0.70 5.02 0.08 -0.63 -4.97 117.98 115.26 2k1x s PHE 19 Ca 0.20 -1.78 -0.00 0.00 0.12 0.00 0.00 56.93 55.47 2k1x s PHE 19 Cb 0.05 -1.62 0.39 0.00 -0.57 0.00 0.00 43.02 41.27 2k1x s PHE 19 CO 0.01 -0.78 1.81 -0.40 -0.10 0.00 0.00 175.22 175.76 2k1x n ASP 20 N 4.65 6.89 -2.12 1.36 5.75 -1.26 -3.70 116.55 128.11 2k1x n ASP 20 Ca -0.13 -3.80 -0.06 0.00 -0.01 0.00 0.00 54.79 50.79 2k1x n ASP 20 Cb 0.44 -0.89 0.01 0.00 -1.03 0.00 0.00 41.12 39.65 2k1x n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k1x n ALA 21 N -0.62 -0.94 -2.79 2.12 0.00 -1.26 -5.00 120.51 112.03 2k1x n ALA 21 Ca 0.52 -0.82 -0.02 0.00 0.00 0.00 0.00 53.44 53.13 2k1x n ALA 21 Cb 0.45 0.66 0.05 0.00 0.00 0.00 0.00 19.45 20.60 2k1x n ALA 21 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2k1x n THR 22 N -0.34 1.35 -2.40 0.00 5.66 -1.26 -4.44 114.28 112.85 2k1x n THR 22 Ca -0.04 -3.00 -0.00 0.00 -3.05 0.00 0.00 64.05 57.95 2k1x n THR 22 Cb 0.37 1.15 0.00 0.00 -1.55 0.00 0.00 70.33 70.30 2k1x n THR 22 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2k1x n SER 23 N -0.61 -0.05 -0.94 1.09 3.41 -1.26 -4.92 113.62 110.35 2k1x n SER 23 Ca 0.09 -0.94 0.01 0.00 -0.26 0.00 0.00 58.87 57.78 2k1x n SER 23 Cb 0.81 0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.79 2k1x n SER 23 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k1x n ASP 24 N -0.05 0.37 -3.99 4.04 2.03 -1.26 -5.10 116.55 112.59 2k1x n ASP 24 Ca -0.01 -1.95 -0.09 0.00 0.52 0.00 0.00 54.79 53.27 2k1x n ASP 24 Cb 0.49 -0.21 -0.08 0.00 -0.72 0.00 0.00 41.12 40.60 2k1x n ASP 24 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k1x s GLN 25 N 0.00 0.89 -0.08 -0.67 1.11 -1.26 -5.08 119.66 114.57 2k1x s GLN 25 Ca 0.14 -1.17 -0.27 0.00 0.01 0.00 0.00 55.36 54.08 2k1x s GLN 25 Cb 0.16 0.30 -0.22 0.00 -1.01 0.00 0.00 33.01 32.24 2k1x s GLN 25 CO -0.07 -0.27 1.01 -1.00 0.01 0.00 0.00 175.29 174.97 2k1x h PRO 26 N 2.81 -0.01 0.00 2.91 0.13 -2.04 -3.50 132.00 132.29 2k1x h PRO 26 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2k1x h PRO 26 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k1x h PRO 26 CO 0.57 0.69 0.00 0.41 -0.23 0.00 0.00 178.00 179.44 2k1x n GLY 27 N 0.88 -1.40 0.00 1.56 0.00 -1.26 -5.15 105.19 99.82 2k1x n GLY 27 Ca -0.09 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2k1x n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1x n ALA 28 N 0.00 0.00 0.00 4.61 0.00 -1.26 -4.85 120.51 119.01 2k1x n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k1x n ALA 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k1x n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1x n GLY 29 N 0.00 0.63 2.69 0.00 0.00 -0.55 -4.84 105.19 103.11 2k1x n GLY 29 Ca 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.71 -2.77 1.61 8.00 -1.26 -4.88 116.55 115.54 2k1x n ASP 30 Ca 0.00 -2.37 -0.30 0.00 0.71 0.00 0.00 54.79 52.83 2k1x n ASP 30 Cb 0.00 0.88 -0.06 0.00 -0.02 0.00 0.00 41.12 41.93 2k1x n ASP 30 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2k1x n ASN 31 N -0.95 6.92 -4.47 -2.24 5.15 -1.26 -4.44 115.26 113.97 2k1x n ASN 31 Ca -0.08 -3.05 -0.20 0.00 -0.60 0.00 0.00 54.58 50.65 2k1x n ASN 31 Cb 0.86 -1.32 0.09 0.00 -0.53 0.00 0.00 39.78 38.88 2k1x n ASN 31 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2k1x n LEU 32 N 1.53 0.00 0.09 1.20 4.32 -1.26 -2.64 117.00 120.24 2k1x n LEU 32 Ca 0.54 -2.07 0.19 0.00 -0.02 0.00 0.00 56.01 54.65 2k1x n LEU 32 Cb 0.49 -0.51 0.75 0.00 -1.62 0.00 0.00 43.42 42.53 2k1x n LEU 32 CO 0.44 -0.85 1.17 -0.55 -1.22 0.00 0.00 177.39 176.38 2k1x h ASN 33 N -0.30 0.00 -1.10 -1.43 -1.07 -0.76 0.00 115.58 110.92 2k1x h ASN 33 Ca -0.28 0.00 -0.67 0.00 0.07 0.00 0.00 56.30 55.42 2k1x h ASN 33 Cb 1.13 0.00 -0.31 0.00 -2.07 0.00 0.00 38.32 37.07 2k1x h ASN 33 CO 0.34 0.00 0.59 -0.67 0.07 0.00 0.00 177.43 177.76 2k1x n ASP 34 N -3.94 7.18 -4.38 6.14 2.03 -1.26 -4.92 116.55 117.39 2k1x n ASP 34 Ca 0.06 -3.79 -0.45 0.00 0.52 0.00 0.00 54.79 51.14 2k1x n ASP 34 Cb 0.53 -0.88 -0.05 0.00 -0.72 0.00 0.00 41.12 40.00 2k1x n ASP 34 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2k1x s LYS 35 N -3.82 3.05 -0.25 -0.67 2.47 -0.01 -4.99 119.74 115.51 2k1x s LYS 35 Ca 0.61 -1.29 -0.08 0.00 -1.56 0.00 0.00 55.97 53.65 2k1x s LYS 35 Cb 0.48 -4.22 0.11 0.00 -1.46 0.00 0.00 37.83 32.75 2k1x s LYS 35 CO -0.06 -1.38 0.53 0.96 0.16 0.00 0.00 175.35 175.57 2k1x s ILE 36 N 2.38 -0.83 0.00 5.43 -4.36 -1.26 -4.76 121.20 117.81 2k1x s ILE 36 Ca 0.10 0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.57 2k1x s ILE 36 Cb -0.24 -0.84 0.00 0.00 1.25 0.00 0.00 42.46 42.63 2k1x s ILE 36 CO 0.07 0.03 0.00 -1.54 0.24 0.00 0.00 174.94 173.74 2k1x n SER 37 N 5.42 0.00 -4.22 4.36 3.41 -1.09 -3.84 113.62 117.66 2k1x n SER 37 Ca -0.10 -0.91 -0.21 0.00 -0.26 0.00 0.00 58.87 57.39 2k1x n SER 37 Cb 0.49 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.72 2.09 -0.02 4.04 0.15 -1.19 -2.77 113.70 115.27 2k1x s SER 38 Ca 0.00 -0.62 0.06 0.00 0.70 0.00 0.00 55.95 56.09 2k1x s SER 38 Cb 0.00 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.19 2k1x s SER 38 CO 0.00 0.01 -0.20 -0.63 1.20 0.00 0.00 173.24 173.62 2k1x s ILE 39 N -1.15 1.60 -0.04 6.45 1.09 0.72 -2.63 121.20 127.26 2k1x s ILE 39 Ca 0.03 -0.86 -0.03 0.00 -1.10 0.00 0.00 60.65 58.69 2k1x s ILE 39 Cb -0.10 -1.34 0.01 0.00 -1.06 0.00 0.00 42.46 39.98 2k1x s ILE 39 CO 0.03 0.45 0.09 -0.75 -0.10 0.00 0.00 174.94 174.67 2k1x s LYS 40 N -0.38 0.10 -0.01 2.79 2.20 -1.10 0.04 119.74 123.38 2k1x s LYS 40 Ca 0.05 0.15 0.03 0.00 -0.36 0.00 0.00 55.97 55.84 2k1x s LYS 40 Cb -0.09 0.02 -0.00 0.00 -1.51 0.00 0.00 37.83 36.24 2k1x s LYS 40 CO -0.00 -0.03 -0.09 0.54 -0.36 0.00 0.00 175.35 175.41 2k1x s VAL 41 N 0.19 0.73 -0.26 4.02 0.11 -1.22 -3.54 120.40 120.43 2k1x s VAL 41 Ca -0.01 -0.38 0.22 0.00 -2.93 0.00 0.00 61.98 58.88 2k1x s VAL 41 Cb -0.02 -0.62 0.51 0.00 -1.53 0.00 0.00 36.38 34.72 2k1x s VAL 41 CO -0.01 0.21 1.11 1.17 -3.33 0.00 0.00 175.10 174.26 2k1x n LYS 42 N 2.94 1.78 -3.16 1.54 3.00 -1.26 -3.78 118.16 119.23 2k1x n LYS 42 Ca -0.14 -3.52 0.04 0.00 -0.00 0.00 0.00 58.31 54.68 2k1x n LYS 42 Cb 0.56 -1.62 -0.04 0.00 0.00 0.00 0.00 35.03 33.93 2k1x n LYS 42 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2k1x s SER 43 N -3.79 -0.01 0.61 3.14 0.15 -1.26 -4.94 113.70 107.60 2k1x s SER 43 Ca 0.28 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2k1x s SER 43 Cb 0.32 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 2k1x s SER 43 CO -0.04 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2k1x n GLY 44 N 4.47 1.88 3.19 9.45 0.00 -1.26 -4.83 105.19 118.09 2k1x n GLY 44 Ca -0.06 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 0.35 2.61 -4.23 -1.26 -4.35 115.64 108.89 2k1x s THR 45 Ca 0.00 -1.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.56 2k1x s THR 45 Cb 0.00 -1.06 -0.07 0.00 1.34 0.00 0.00 72.50 72.71 2k1x s THR 45 CO 0.00 -0.55 0.04 0.26 -0.54 0.00 0.00 174.62 173.83 2k1x s TRP 46 N -3.01 2.15 -0.21 3.99 0.51 -1.05 -4.27 118.94 117.06 2k1x s TRP 46 Ca -0.02 -0.85 -0.03 0.00 -2.12 0.00 0.00 56.10 53.08 2k1x s TRP 46 Cb 0.01 -1.44 -0.01 0.00 -0.81 0.00 0.00 33.47 31.22 2k1x s TRP 46 CO -0.06 0.16 -0.05 1.03 -0.51 0.00 0.00 176.95 177.52 2k1x s ARG 47 N -3.83 3.39 -0.21 4.98 3.00 -1.20 -0.15 118.95 124.93 2k1x s ARG 47 Ca 0.36 -0.63 -0.03 0.00 0.00 0.00 0.00 55.73 55.43 2k1x s ARG 47 Cb 0.09 -2.96 -0.00 0.00 0.00 0.00 0.00 34.95 32.08 2k1x s ARG 47 CO 0.16 -0.13 -0.08 -0.06 0.00 0.00 0.00 175.30 175.20 2k1x s PHE 48 N 1.30 2.92 -0.03 -0.53 0.08 0.89 -2.30 117.98 120.31 2k1x s PHE 48 Ca 0.04 -1.08 -0.01 0.00 0.12 0.00 0.00 56.93 55.99 2k1x s PHE 48 Cb -0.14 -2.06 0.03 0.00 -0.57 0.00 0.00 43.02 40.27 2k1x s PHE 48 CO -0.02 -0.60 0.04 1.52 -0.10 0.00 0.00 175.22 176.06 2k1x s TYR 49 N 1.43 0.05 -0.82 0.36 -0.85 -0.85 -1.19 117.35 115.48 2k1x s TYR 49 Ca 0.06 0.16 -0.13 0.00 -0.52 0.00 0.00 57.07 56.64 2k1x s TYR 49 Cb -0.14 -0.33 0.22 0.00 0.38 0.00 0.00 41.96 42.09 2k1x s TYR 49 CO -0.05 -0.12 0.75 -1.21 -1.52 0.00 0.00 175.55 173.39 2k1x s GLU 50 N 1.43 3.55 0.00 -3.49 2.02 -1.26 -1.14 118.70 119.82 2k1x s GLU 50 Ca -0.05 -2.48 0.00 0.00 0.02 0.00 0.00 54.97 52.47 2k1x s GLU 50 Cb -0.13 -4.39 0.00 0.00 0.10 0.00 0.00 34.13 29.71 2k1x s GLU 50 CO -0.03 -1.28 0.00 0.66 0.02 0.00 0.00 175.26 174.63 2k1x n TYR 51 N 3.93 0.00 -1.02 1.61 4.01 0.84 -4.41 117.16 122.12 2k1x n TYR 51 Ca 0.14 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.56 2k1x n TYR 51 Cb 0.46 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.62 2k1x n TYR 51 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2k1x s ILE 52 N -3.00 2.66 0.00 -0.72 1.10 -1.26 -3.93 121.20 116.04 2k1x s ILE 52 Ca 0.00 0.22 -0.03 0.00 -0.51 0.00 0.00 60.65 60.33 2k1x s ILE 52 Cb 0.00 -2.50 -0.14 0.00 0.15 0.00 0.00 42.46 39.98 2k1x s ILE 52 CO 0.00 -0.27 2.66 0.59 -2.11 0.00 0.00 174.94 175.82 2k1x n ASN 53 N -3.76 4.76 -0.35 4.50 3.02 -1.26 -2.93 115.26 119.23 2k1x n ASN 53 Ca 0.11 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 52.32 2k1x n ASN 53 Cb 0.52 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 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 2.12 0.00 0.00 3.10 4.01 -1.26 -5.11 117.16 120.02 2k1x n TYR 54 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 2k1x n TYR 54 Cb 0.67 0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.82 2k1x n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k1x n GLY 55 N 0.00 -0.45 1.09 2.72 0.00 -1.15 -5.17 105.19 102.23 2k1x n GLY 55 Ca 0.00 0.37 0.08 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.08 3.58 -0.02 0.00 -1.26 -4.66 105.19 100.76 2k1x n GLY 56 Ca 0.00 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.41 3.60 -0.54 1.61 3.00 -1.26 -4.96 118.95 118.99 2k1x s ARG 57 Ca 0.00 0.35 -0.28 0.00 -1.00 0.00 0.00 55.73 54.80 2k1x s ARG 57 Cb 0.00 -3.96 0.02 0.00 0.00 0.00 0.00 34.95 31.02 2k1x s ARG 57 CO 0.00 -1.48 1.27 -0.47 0.00 0.00 0.00 175.30 174.63 2k1x s TYR 58 N 4.52 2.52 -0.22 5.12 5.04 -1.26 -4.04 117.35 129.02 2k1x s TYR 58 Ca 0.44 0.51 -0.04 0.00 -2.44 0.00 0.00 57.07 55.54 2k1x s TYR 58 Cb -0.08 -4.45 0.08 0.00 0.35 0.00 0.00 41.96 37.86 2k1x s TYR 58 CO 0.28 -1.70 0.09 -0.46 -1.34 0.00 0.00 175.55 172.42 2k1x s TRP 59 N 5.26 0.54 0.48 4.97 -0.00 -0.34 -5.01 118.94 124.84 2k1x s TRP 59 Ca 0.49 -0.72 -0.09 0.00 -0.00 0.00 0.00 56.10 55.77 2k1x s TRP 59 Cb -0.09 -0.91 -0.05 0.00 -0.00 0.00 0.00 33.47 32.42 2k1x s TRP 59 CO 0.27 -0.66 0.85 0.16 -0.00 0.00 0.00 176.95 177.57 2k1x s ASP 60 N 2.02 6.39 -0.11 5.86 1.47 -1.26 -0.08 116.67 130.97 2k1x s ASP 60 Ca 0.04 1.16 -0.02 0.00 1.18 0.00 0.00 52.55 54.92 2k1x s ASP 60 Cb -0.16 -2.34 -0.03 0.00 -0.34 0.00 0.00 42.92 40.04 2k1x s ASP 60 CO -0.18 -0.56 -0.05 -0.22 0.68 0.00 0.00 175.17 174.83 2k1x s LEU 61 N -4.41 3.21 0.00 2.11 2.96 0.79 -4.85 118.68 118.49 2k1x s LEU 61 Ca 0.51 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.39 2k1x s LEU 61 Cb -0.10 -1.74 0.04 0.00 0.50 0.00 0.00 46.19 44.89 2k1x s LEU 61 CO 0.40 0.26 0.34 0.61 -1.32 0.00 0.00 176.35 176.65 2k1x n GLY 62 N 2.90 2.82 3.52 7.98 0.00 -1.26 -2.52 105.19 118.63 2k1x n GLY 62 Ca -0.18 -2.29 -0.39 0.00 0.00 0.00 0.00 46.02 43.16 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 -1.61 0.41 0.00 1.61 -0.02 -1.26 -4.72 135.00 129.41 2k1x n PRO 63 Ca -0.03 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2k1x n PRO 63 Cb 0.55 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 6.31 2.84 3.96 -1.23 0.00 -1.25 -5.08 105.19 110.74 2k1x n GLY 64 Ca 0.55 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.10 3.01 -0.30 1.61 2.12 -1.26 -3.45 118.70 118.33 2k1x s GLU 65 Ca 0.00 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 54.81 2k1x s GLU 65 Cb 0.00 -2.56 0.19 0.00 0.26 0.00 0.00 34.13 32.02 2k1x s GLU 65 CO 0.00 -0.31 0.60 -0.47 -0.54 0.00 0.00 175.26 174.55 2k1x s TYR 66 N -2.56 -1.72 -0.83 5.30 5.04 0.11 -4.99 117.35 117.70 2k1x s TYR 66 Ca 0.49 1.39 -0.16 0.00 -2.44 0.00 0.00 57.07 56.35 2k1x s TYR 66 Cb -0.10 0.44 0.18 0.00 0.35 0.00 0.00 41.96 42.83 2k1x s TYR 66 CO 0.38 -0.97 0.86 -1.12 -1.34 0.00 0.00 175.55 173.36 2k1x s SER 67 N 2.85 6.66 -0.02 4.32 0.01 -1.26 -0.20 113.70 126.06 2k1x s SER 67 Ca 0.15 -2.37 -0.25 0.00 1.31 0.00 0.00 55.95 54.79 2k1x s SER 67 Cb -0.12 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 2k1x s SER 67 CO -0.23 -0.77 0.75 -0.94 0.41 0.00 0.00 173.24 172.46 2k1x s SER 68 N 2.76 7.12 0.00 2.44 1.04 -1.12 -4.90 113.70 121.04 2k1x s SER 68 Ca 0.21 1.34 0.00 0.00 0.48 0.00 0.00 55.95 57.98 2k1x s SER 68 Cb -0.10 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2k1x s SER 68 CO -0.08 -0.08 0.68 1.33 0.98 0.00 0.00 173.24 176.08 2k1x n VAL 69 N 3.41 0.00 0.00 5.02 0.24 -1.26 -2.68 118.33 123.06 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 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 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 0.00 -0.07 7.34 0.28 -1.26 -4.96 120.64 121.96 2k1x n GLU 70 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 2k1x n GLU 70 Cb 0.59 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.33 2k1x n GLU 70 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 2k1x h SER 71 N 0.00 0.02 0.00 -1.84 0.02 -1.94 -3.40 113.55 106.41 2k1x h SER 71 Ca 0.00 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 2k1x h SER 71 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2k1x h SER 71 CO 0.00 1.13 0.00 0.00 -1.14 0.00 0.00 176.83 176.82 2k1x n ALA 72 N -2.80 -0.26 0.00 3.77 0.00 -1.26 -4.91 120.51 115.04 2k1x n ALA 72 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2k1x n ALA 72 Cb 0.54 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.20 2k1x n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1x n GLY 73 N -0.98 1.16 2.39 0.00 0.00 -1.26 -5.08 105.19 101.42 2k1x n GLY 73 Ca 0.00 0.54 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 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 1.10 -0.00 -0.61 2.08 -1.26 -4.76 119.36 115.90 2k1x n ILE 74 Ca 0.00 -4.78 -0.00 0.00 0.56 0.00 0.00 62.75 58.53 2k1x n ILE 74 Cb 0.00 -1.70 -0.00 0.00 -0.75 0.00 0.00 39.64 37.19 2k1x n ILE 74 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 2k1x h PRO 75 N 3.77 0.00 0.00 0.38 0.13 -1.80 -3.46 132.00 131.03 2k1x h PRO 75 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2k1x h PRO 75 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2k1x h PRO 75 CO 0.66 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.96 2k1x n ASP 76 N -2.22 0.00 -3.15 1.44 2.03 -1.26 -4.59 116.55 108.80 2k1x n ASP 76 Ca -0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 2k1x n ASP 76 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 2k1x n ASP 76 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2k1x s ASN 77 N 0.00 -0.24 0.00 1.67 2.47 -1.23 -0.11 114.94 117.50 2k1x s ASN 77 Ca 0.00 0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.40 2k1x s ASN 77 Cb 0.00 1.19 0.00 0.00 -1.45 0.00 0.00 41.25 40.99 2k1x s ASN 77 CO 0.00 -0.04 0.00 -1.20 -3.72 0.00 0.00 177.10 172.14 2k1x n SER 78 N 5.38 0.00 -4.76 -4.21 7.64 -1.08 -4.95 113.62 111.64 2k1x n SER 78 Ca -0.04 -1.00 -0.30 0.00 1.01 0.00 0.00 58.87 58.54 2k1x n SER 78 Cb 0.55 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.69 2k1x n SER 78 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2k1x s ILE 79 N -2.04 4.42 -0.17 0.44 1.09 -1.26 -4.19 121.20 119.50 2k1x s ILE 79 Ca 0.00 -0.82 -0.29 0.00 -1.10 0.00 0.00 60.65 58.44 2k1x s ILE 79 Cb 0.00 -3.13 0.11 0.00 -1.06 0.00 0.00 42.46 38.38 2k1x s ILE 79 CO 0.00 0.12 0.90 -0.94 -0.10 0.00 0.00 174.94 174.92 2k1x s SER 80 N -2.39 -0.50 0.14 3.58 1.04 -1.25 -0.11 113.70 114.21 2k1x s SER 80 Ca 0.29 0.69 -0.24 0.00 0.48 0.00 0.00 55.95 57.17 2k1x s SER 80 Cb -0.12 0.61 0.07 0.00 0.10 0.00 0.00 66.02 66.68 2k1x s SER 80 CO 0.21 -0.36 0.61 -0.55 0.98 0.00 0.00 173.24 174.13 2k1x s SER 81 N -0.69 -0.58 -0.15 7.02 0.15 -0.29 -1.48 113.70 117.69 2k1x s SER 81 Ca -0.03 0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.58 2k1x s SER 81 Cb -0.02 0.59 0.05 0.00 -1.71 0.00 0.00 66.02 64.93 2k1x s SER 81 CO 0.02 -0.93 0.38 0.72 1.20 0.00 0.00 173.24 174.63 2k1x s PHE 82 N -3.48 -0.48 -0.24 3.44 -0.71 -1.26 -2.00 117.98 113.26 2k1x s PHE 82 Ca -0.00 1.10 -0.21 0.00 -1.04 0.00 0.00 56.93 56.77 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 -0.11 -0.25 0.67 1.03 -1.34 0.00 0.00 175.22 175.22 2k1x s ARG 83 N 0.70 4.15 -0.93 1.99 1.81 -0.97 -4.90 118.95 120.79 2k1x s ARG 83 Ca -0.04 0.64 -0.23 0.00 -1.72 0.00 0.00 55.73 54.38 2k1x s ARG 83 Cb -0.05 -3.63 0.05 0.00 -0.45 0.00 0.00 34.95 30.87 2k1x s ARG 83 CO -0.05 -0.40 1.36 -0.65 -0.68 0.00 0.00 175.30 174.88 2k1x s GLN 84 N 2.45 3.48 0.00 3.54 -0.21 -1.26 -3.27 119.66 124.39 2k1x s GLN 84 Ca 0.28 -0.98 0.00 0.00 0.02 0.00 0.00 55.36 54.68 2k1x s GLN 84 Cb -0.16 -5.00 0.00 0.00 1.00 0.00 0.00 33.01 28.85 2k1x s GLN 84 CO 0.09 -2.13 0.47 0.44 -2.12 0.00 0.00 175.29 172.04