#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 0.00 -1.97 6.12 3.02 -1.26 -5.18 115.26 115.99 2k1x n ASN 2 Ca 0.00 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 2k1x n ASN 2 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2k1x n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k1x n ALA 3 N -3.00 0.00 -2.36 5.41 0.00 -1.26 -4.99 120.51 114.32 2k1x n ALA 3 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2k1x n ALA 3 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.92 3.23 -0.67 0.00 0.00 -1.26 -5.00 121.76 114.14 2k1x s ALA 4 Ca 0.00 0.56 -0.23 0.00 0.00 0.00 0.00 51.96 52.29 2k1x s ALA 4 Cb 0.00 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.90 2k1x s ALA 4 CO 0.00 -0.06 0.99 -2.00 0.00 0.00 0.00 175.76 174.69 2k1x s GLU 5 N 0.19 3.12 -0.23 0.00 2.12 -1.26 -4.91 118.70 117.73 2k1x s GLU 5 Ca 0.48 -0.79 -0.07 0.00 0.36 0.00 0.00 54.97 54.95 2k1x s GLU 5 Cb -0.23 -4.23 -0.03 0.00 0.26 0.00 0.00 34.13 29.91 2k1x s GLU 5 CO 0.29 -1.85 0.05 0.08 -0.54 0.00 0.00 175.26 173.29 2k1x s VAL 6 N 4.21 4.21 -0.23 3.70 1.01 -1.26 -4.37 120.40 127.67 2k1x s VAL 6 Ca 0.23 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2k1x s VAL 6 Cb -0.16 -2.95 0.05 0.00 0.00 0.00 0.00 36.38 33.32 2k1x s VAL 6 CO 0.10 0.37 -0.09 -0.51 0.00 0.00 0.00 175.10 174.97 2k1x s ILE 7 N 1.38 1.77 -0.03 2.22 2.07 -1.23 -4.44 121.20 122.94 2k1x s ILE 7 Ca 0.05 -1.24 0.04 0.00 -1.41 0.00 0.00 60.65 58.09 2k1x s ILE 7 Cb -0.15 -1.90 -0.00 0.00 0.13 0.00 0.00 42.46 40.54 2k1x s ILE 7 CO 0.03 0.05 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.27 2k1x s VAL 8 N 1.31 1.15 0.09 4.00 1.01 -1.24 -2.76 120.40 123.96 2k1x s VAL 8 Ca -0.05 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 2k1x s VAL 8 Cb -0.18 -0.99 -0.07 0.00 0.00 0.00 0.00 36.38 35.14 2k1x s VAL 8 CO -0.07 0.34 0.58 -0.31 0.00 0.00 0.00 175.10 175.64 2k1x s TYR 9 N -0.03 3.78 -0.54 5.22 1.51 -0.77 -2.33 117.35 124.18 2k1x s TYR 9 Ca -0.01 1.26 -0.01 0.00 -1.01 0.00 0.00 57.07 57.31 2k1x s TYR 9 Cb -0.09 -2.49 0.41 0.00 -0.11 0.00 0.00 41.96 39.68 2k1x s TYR 9 CO 0.01 0.55 2.00 -1.91 -1.11 0.00 0.00 175.55 175.09 2k1x n GLU 10 N 1.54 2.38 -3.25 -0.62 2.13 0.87 -3.88 120.64 119.82 2k1x n GLU 10 Ca -0.09 -2.77 0.00 0.00 0.66 0.00 0.00 57.16 54.96 2k1x n GLU 10 Cb 0.51 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.13 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 -0.62 0.00 -0.88 4.31 8.25 -1.26 -4.54 115.22 120.49 2k1x n HIS 11 Ca 0.53 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.69 2k1x n HIS 11 Cb 0.77 0.00 0.15 0.00 1.12 0.00 0.00 29.99 32.04 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 2.46 -0.77 1.59 1.01 -1.26 -2.68 120.40 117.74 2k1x s VAL 12 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 2k1x s VAL 12 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2k1x s VAL 12 CO 0.00 -0.19 2.84 -3.20 0.00 0.00 0.00 175.10 174.54 2k1x n ASN 13 N -4.08 7.00 -0.50 3.32 2.85 -1.26 -3.49 115.26 119.10 2k1x n ASN 13 Ca 0.10 -2.98 -0.01 0.00 -0.11 0.00 0.00 54.58 51.58 2k1x n ASN 13 Cb 0.53 -1.34 -0.01 0.00 1.24 0.00 0.00 39.78 40.20 2k1x n ASN 13 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 2k1x n PHE 14 N 1.74 0.00 0.00 1.20 -1.74 -1.26 -5.02 117.46 112.38 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 0.49 0.27 0.00 0.00 1.52 0.00 0.00 39.48 41.76 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 -1.24 -5.18 105.19 107.02 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 1.48 0.48 -0.02 0.00 -1.23 -4.70 107.32 103.33 2k1x s GLY 16 Ca 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 44.72 43.03 2k1x s GLY 16 CO 0.00 -1.29 0.76 1.25 0.00 0.00 0.00 173.10 173.82 2k1x s LYS 17 N -3.96 3.42 0.05 2.90 2.20 -1.26 -4.90 119.74 118.18 2k1x s LYS 17 Ca 0.37 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 2k1x s LYS 17 Cb 0.05 -2.41 -0.03 0.00 -1.51 0.00 0.00 37.83 33.92 2k1x s LYS 17 CO 0.15 -0.23 -0.05 -1.54 -0.36 0.00 0.00 175.35 173.32 2k1x s SER 18 N -4.13 0.66 -0.33 1.43 1.04 -1.26 -0.09 113.70 111.02 2k1x s SER 18 Ca 0.47 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 56.11 2k1x s SER 18 Cb -0.10 0.12 0.08 0.00 0.10 0.00 0.00 66.02 66.22 2k1x s SER 18 CO 0.43 -0.42 0.04 -0.36 0.98 0.00 0.00 173.24 173.90 2k1x s PHE 19 N -2.79 3.50 -0.57 5.02 0.08 -0.99 -4.97 117.98 117.26 2k1x s PHE 19 Ca -0.00 -2.46 0.00 0.00 0.12 0.00 0.00 56.93 54.59 2k1x s PHE 19 Cb -0.00 -2.57 0.45 0.00 -0.57 0.00 0.00 43.02 40.33 2k1x s PHE 19 CO -0.05 -0.90 1.81 -0.40 -0.10 0.00 0.00 175.22 175.58 2k1x n ASP 20 N 4.45 6.98 -0.99 1.36 5.68 -1.26 -3.70 116.55 129.06 2k1x n ASP 20 Ca -0.06 -3.78 0.00 0.00 -0.50 0.00 0.00 54.79 50.46 2k1x n ASP 20 Cb 0.42 -0.81 0.00 0.00 -1.14 0.00 0.00 41.12 39.59 2k1x n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k1x n ALA 21 N -0.86 0.00 -1.06 2.12 0.00 -1.26 -5.04 120.51 114.40 2k1x n ALA 21 Ca 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 54.00 2k1x n ALA 21 Cb 0.74 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.21 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 0.00 0.00 -1.11 0.00 5.66 -1.26 -4.45 114.28 113.12 2k1x n THR 22 Ca 0.00 -0.07 -0.32 0.00 -3.05 0.00 0.00 64.05 60.61 2k1x n THR 22 Cb 0.00 -1.85 -0.03 0.00 -1.55 0.00 0.00 70.33 66.90 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 -3.08 7.36 -0.10 1.09 7.64 -1.26 -4.22 113.62 121.05 2k1x n SER 23 Ca 0.01 -2.48 -0.16 0.00 1.01 0.00 0.00 58.87 57.25 2k1x n SER 23 Cb 0.04 -1.40 -0.13 0.00 -1.01 0.00 0.00 64.21 61.71 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 3.71 1.48 -4.88 6.43 2.03 -1.26 -4.95 116.55 119.10 2k1x n ASP 24 Ca 0.66 -0.03 -0.30 0.00 0.52 0.00 0.00 54.79 55.64 2k1x n ASP 24 Cb 0.23 -0.13 0.03 0.00 -0.72 0.00 0.00 41.12 40.54 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 -2.52 3.11 -0.77 -0.67 1.11 -1.26 -4.89 119.66 113.77 2k1x s GLN 25 Ca -0.26 0.56 -0.30 0.00 0.01 0.00 0.00 55.36 55.38 2k1x s GLN 25 Cb 0.08 -2.04 -0.16 0.00 -1.01 0.00 0.00 33.01 29.88 2k1x s GLN 25 CO 0.69 -0.88 2.56 -2.30 0.01 0.00 0.00 175.29 175.37 2k1x n PRO 26 N -2.92 0.42 0.00 2.91 -0.02 -1.26 -4.85 135.00 129.28 2k1x n PRO 26 Ca 0.07 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2k1x n PRO 26 Cb 0.56 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2k1x n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k1x n GLY 27 N 6.37 1.02 2.40 -1.23 0.00 -1.26 -4.69 105.19 107.80 2k1x n GLY 27 Ca 0.54 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.00 7.17 0.00 4.61 0.00 -1.26 -4.30 120.51 123.74 2k1x n ALA 28 Ca 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 53.44 49.70 2k1x n ALA 28 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.26 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 3.01 -1.91 2.82 0.00 0.00 -1.26 -4.78 105.19 103.07 2k1x n GLY 29 Ca 0.71 0.92 0.03 0.00 0.00 0.00 0.00 46.02 47.68 2k1x n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k1x s ASP 30 N 0.00 -0.24 0.04 1.61 -1.08 -1.26 -4.94 116.67 110.80 2k1x s ASP 30 Ca 0.00 -0.09 -0.27 0.00 -0.52 0.00 0.00 52.55 51.67 2k1x s ASP 30 Cb 0.00 0.48 0.10 0.00 -1.46 0.00 0.00 42.92 42.04 2k1x s ASP 30 CO 0.00 -0.03 1.22 0.20 0.52 0.00 0.00 175.17 177.08 2k1x s ASN 31 N 2.19 -0.02 0.00 -0.34 -0.87 -1.26 -5.08 114.94 109.57 2k1x s ASN 31 Ca 0.18 -0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.17 2k1x s ASN 31 Cb 0.03 0.24 0.00 0.00 -0.02 0.00 0.00 41.25 41.50 2k1x s ASN 31 CO -0.17 -0.47 0.00 -0.11 -2.57 0.00 0.00 177.10 173.78 2k1x n LEU 32 N -0.73 0.00 -0.69 0.60 7.94 -1.26 -3.47 117.00 119.39 2k1x n LEU 32 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 2k1x n LEU 32 Cb 0.60 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.55 2k1x n LEU 32 CO 0.16 0.00 0.23 -3.20 -1.11 0.00 0.00 177.39 173.46 2k1x n ASN 33 N -0.24 0.08 -2.55 1.96 5.15 -1.23 -2.89 115.26 115.55 2k1x n ASN 33 Ca 0.00 -1.74 -0.08 0.00 -0.60 0.00 0.00 54.58 52.16 2k1x n ASN 33 Cb 0.00 -0.13 0.04 0.00 -0.53 0.00 0.00 39.78 39.17 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 0.08 2.64 -4.53 1.20 2.03 -1.26 -4.92 116.55 111.79 2k1x n ASP 34 Ca -0.01 -2.59 -0.42 0.00 0.52 0.00 0.00 54.79 52.29 2k1x n ASP 34 Cb 0.72 -0.43 -0.03 0.00 -0.72 0.00 0.00 41.12 40.65 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 -3.69 3.29 -0.27 -0.67 2.47 -1.26 -4.95 119.74 114.66 2k1x s LYS 35 Ca 0.35 -0.23 -0.01 0.00 -1.56 0.00 0.00 55.97 54.52 2k1x s LYS 35 Cb 0.35 -4.12 0.13 0.00 -1.46 0.00 0.00 37.83 32.73 2k1x s LYS 35 CO -0.02 -1.83 0.33 0.96 0.16 0.00 0.00 175.35 174.95 2k1x s ILE 36 N 4.85 -0.49 0.00 5.43 -4.36 -1.26 -4.70 121.20 120.67 2k1x s ILE 36 Ca 0.34 -0.29 0.00 0.00 -0.26 0.00 0.00 60.65 60.44 2k1x s ILE 36 Cb -0.10 -0.90 0.00 0.00 1.25 0.00 0.00 42.46 42.71 2k1x s ILE 36 CO 0.18 -0.31 0.00 -1.54 0.24 0.00 0.00 174.94 173.51 2k1x n SER 37 N 5.33 0.00 -4.30 4.36 3.41 -1.23 -4.04 113.62 117.14 2k1x n SER 37 Ca -0.02 -0.58 -0.26 0.00 -0.26 0.00 0.00 58.87 57.75 2k1x n SER 37 Cb 0.48 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.27 2.72 -0.03 4.04 0.01 -1.09 -3.34 113.70 116.28 2k1x s SER 38 Ca 0.00 -0.66 0.07 0.00 1.31 0.00 0.00 55.95 56.68 2k1x s SER 38 Cb 0.00 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 2k1x s SER 38 CO 0.00 0.12 -0.24 -0.63 0.41 0.00 0.00 173.24 172.89 2k1x s ILE 39 N -1.04 1.95 -0.04 1.44 1.09 -0.13 -1.85 121.20 122.63 2k1x s ILE 39 Ca 0.09 -1.04 -0.02 0.00 -1.10 0.00 0.00 60.65 58.57 2k1x s ILE 39 Cb -0.10 -1.62 0.02 0.00 -1.06 0.00 0.00 42.46 39.70 2k1x s ILE 39 CO 0.04 0.55 0.08 -0.75 -0.10 0.00 0.00 174.94 174.76 2k1x s LYS 40 N -0.49 0.06 -0.01 2.79 2.20 -1.11 -2.31 119.74 120.86 2k1x s LYS 40 Ca 0.07 0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.90 2k1x s LYS 40 Cb -0.10 -0.10 -0.00 0.00 -1.51 0.00 0.00 37.83 36.11 2k1x s LYS 40 CO -0.00 -0.10 -0.05 0.54 -0.36 0.00 0.00 175.35 175.37 2k1x s VAL 41 N 0.66 0.45 -0.26 4.02 0.11 -1.22 -3.53 120.40 120.64 2k1x s VAL 41 Ca -0.05 -0.23 0.19 0.00 -2.93 0.00 0.00 61.98 58.97 2k1x s VAL 41 Cb -0.07 -0.39 0.49 0.00 -1.53 0.00 0.00 36.38 34.88 2k1x s VAL 41 CO -0.03 0.14 1.13 1.17 -3.33 0.00 0.00 175.10 174.18 2k1x n LYS 42 N 3.05 2.10 0.00 1.54 3.00 -1.26 -3.82 118.16 122.76 2k1x n LYS 42 Ca -0.14 -3.60 0.00 0.00 -0.00 0.00 0.00 58.31 54.57 2k1x n LYS 42 Cb 0.57 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.90 2k1x n LYS 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2k1x n SER 43 N -0.59 0.00 0.00 3.14 7.64 -1.26 -4.96 113.62 117.59 2k1x n SER 43 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2k1x n SER 43 Cb 0.85 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 2k1x n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k1x n GLY 44 N 0.00 -0.11 3.24 0.23 0.00 -1.26 -4.81 105.19 102.47 2k1x n GLY 44 Ca 0.00 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.01 0.40 2.61 -4.23 -1.22 -4.53 115.64 108.66 2k1x s THR 45 Ca 0.00 0.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.63 2k1x s THR 45 Cb 0.00 -0.53 0.01 0.00 1.34 0.00 0.00 72.50 73.32 2k1x s THR 45 CO 0.00 0.02 0.56 0.26 -0.54 0.00 0.00 174.62 174.91 2k1x s TRP 46 N 0.67 2.89 -0.18 3.99 0.51 -1.17 -4.44 118.94 121.21 2k1x s TRP 46 Ca -0.04 -0.33 -0.01 0.00 -2.12 0.00 0.00 56.10 53.60 2k1x s TRP 46 Cb -0.05 -2.30 -0.00 0.00 -0.81 0.00 0.00 33.47 30.31 2k1x s TRP 46 CO -0.04 -0.34 -0.12 1.03 -0.51 0.00 0.00 176.95 176.97 2k1x s ARG 47 N -4.33 3.26 -0.20 4.98 3.00 -1.17 -2.17 118.95 122.33 2k1x s ARG 47 Ca 0.53 -0.71 -0.04 0.00 0.00 0.00 0.00 55.73 55.51 2k1x s ARG 47 Cb -0.10 -2.75 -0.02 0.00 0.00 0.00 0.00 34.95 32.08 2k1x s ARG 47 CO 0.33 -0.07 -0.03 -0.06 0.00 0.00 0.00 175.30 175.48 2k1x s PHE 48 N 1.06 2.99 -0.03 -0.53 0.08 -0.07 -2.46 117.98 119.02 2k1x s PHE 48 Ca -0.00 -0.63 -0.01 0.00 0.12 0.00 0.00 56.93 56.41 2k1x s PHE 48 Cb -0.15 -2.07 0.03 0.00 -0.57 0.00 0.00 43.02 40.26 2k1x s PHE 48 CO -0.03 -0.34 0.04 1.52 -0.10 0.00 0.00 175.22 176.31 2k1x s TYR 49 N 1.10 0.06 -0.79 0.36 -0.85 -0.76 -1.14 117.35 115.32 2k1x s TYR 49 Ca 0.02 0.16 -0.12 0.00 -0.52 0.00 0.00 57.07 56.62 2k1x s TYR 49 Cb -0.15 -0.33 0.21 0.00 0.38 0.00 0.00 41.96 42.07 2k1x s TYR 49 CO 0.01 -0.13 0.71 -2.00 -1.52 0.00 0.00 175.55 172.62 2k1x s GLU 50 N 1.44 3.40 0.00 -3.49 2.12 -1.26 -1.12 118.70 119.80 2k1x s GLU 50 Ca -0.04 -2.50 0.00 0.00 0.36 0.00 0.00 54.97 52.79 2k1x s GLU 50 Cb -0.13 -4.29 0.00 0.00 0.26 0.00 0.00 34.13 29.98 2k1x s GLU 50 CO -0.03 -1.27 0.00 0.66 -0.54 0.00 0.00 175.26 174.08 2k1x n TYR 51 N 3.83 0.00 -0.68 5.30 4.01 0.08 -4.40 117.16 125.30 2k1x n TYR 51 Ca 0.13 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.55 2k1x n TYR 51 Cb 0.45 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.65 2k1x n TYR 51 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 2k1x n ILE 52 N 3.58 0.00 -1.07 -0.72 2.08 -1.26 -4.17 119.36 117.80 2k1x n ILE 52 Ca 0.00 -0.24 -0.17 0.00 0.56 0.00 0.00 62.75 62.90 2k1x n ILE 52 Cb 0.00 -0.75 -0.14 0.00 -0.75 0.00 0.00 39.64 38.00 2k1x n ILE 52 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2k1x n ASN 53 N -2.60 5.93 -0.37 4.38 3.02 -1.26 -3.06 115.26 121.30 2k1x n ASN 53 Ca 0.05 -2.51 -0.00 0.00 -0.03 0.00 0.00 54.58 52.09 2k1x n ASN 53 Cb 0.56 -1.44 -0.00 0.00 -0.61 0.00 0.00 39.78 38.29 2k1x n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k1x n TYR 54 N 2.68 0.00 -3.43 3.10 4.11 -1.26 -5.16 117.16 117.19 2k1x n TYR 54 Ca 0.50 -0.01 0.00 0.00 -0.00 0.00 0.00 57.90 58.39 2k1x n TYR 54 Cb 0.78 0.23 0.00 0.00 -0.00 0.00 0.00 39.34 40.35 2k1x n TYR 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k1x n GLY 55 N 0.00 -0.91 0.00 -7.48 0.00 -1.17 -5.18 105.19 90.45 2k1x n GLY 55 Ca -0.01 -0.90 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 -0.96 3.56 -0.02 0.00 -1.26 -4.39 105.19 102.12 2k1x n GLY 56 Ca 0.00 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 2k1x n GLY 56 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k1x s ARG 57 N 0.00 3.43 -0.50 1.61 1.04 -1.26 -4.93 118.95 118.34 2k1x s ARG 57 Ca 0.00 0.07 -0.29 0.00 -1.04 0.00 0.00 55.73 54.48 2k1x s ARG 57 Cb 0.00 -4.05 0.02 0.00 -2.04 0.00 0.00 34.95 28.88 2k1x s ARG 57 CO 0.00 -1.73 1.27 -0.47 -0.04 0.00 0.00 175.30 174.33 2k1x s TYR 58 N 4.90 2.57 -0.22 5.89 5.04 -1.26 -3.97 117.35 130.29 2k1x s TYR 58 Ca 0.39 0.60 -0.04 0.00 -2.44 0.00 0.00 57.07 55.59 2k1x s TYR 58 Cb -0.08 -4.42 0.08 0.00 0.35 0.00 0.00 41.96 37.88 2k1x s TYR 58 CO 0.23 -1.64 0.09 -0.46 -1.34 0.00 0.00 175.55 172.42 2k1x s TRP 59 N 5.10 0.54 -0.02 4.97 -0.00 -0.29 -4.99 118.94 124.24 2k1x s TRP 59 Ca 0.51 -0.72 -0.15 0.00 -0.00 0.00 0.00 56.10 55.74 2k1x s TRP 59 Cb -0.09 -0.92 -0.05 0.00 -0.00 0.00 0.00 33.47 32.41 2k1x s TRP 59 CO 0.30 -0.66 0.40 0.16 -0.00 0.00 0.00 176.95 177.15 2k1x s ASP 60 N 2.02 6.77 -0.06 5.86 -4.77 -1.26 -0.89 116.67 124.34 2k1x s ASP 60 Ca 0.04 0.92 -0.03 0.00 -3.30 0.00 0.00 52.55 50.18 2k1x s ASP 60 Cb -0.16 -2.25 -0.04 0.00 -1.09 0.00 0.00 42.92 39.38 2k1x s ASP 60 CO -0.18 0.28 0.09 -1.48 0.70 0.00 0.00 175.17 174.58 2k1x s LEU 61 N -0.82 4.03 0.00 2.11 0.05 -0.92 -4.96 118.68 118.17 2k1x s LEU 61 Ca 0.23 0.27 0.00 0.00 0.05 0.00 0.00 54.13 54.68 2k1x s LEU 61 Cb -0.16 -2.15 0.00 0.00 -2.05 0.00 0.00 46.19 41.82 2k1x s LEU 61 CO 0.12 0.34 0.00 0.61 -0.55 0.00 0.00 176.35 176.87 2k1x n GLY 62 N 1.60 6.55 3.49 -3.48 0.00 -1.26 -3.06 105.19 109.03 2k1x n GLY 62 Ca -0.16 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 0.00 0.33 0.00 1.61 -0.02 -1.26 -4.64 135.00 131.01 2k1x n PRO 63 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2k1x n PRO 63 Cb 0.00 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 6.48 1.33 3.04 -1.23 0.00 -1.25 -5.05 105.19 108.51 2k1x n GLY 64 Ca 0.56 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.00 0.65 -0.16 1.61 2.12 -1.26 -3.42 118.70 116.23 2k1x s GLU 65 Ca 0.00 -0.50 -0.15 0.00 0.36 0.00 0.00 54.97 54.68 2k1x s GLU 65 Cb 0.00 -0.58 0.04 0.00 0.26 0.00 0.00 34.13 33.85 2k1x s GLU 65 CO 0.00 0.15 0.43 1.52 -0.54 0.00 0.00 175.26 176.81 2k1x s TYR 66 N -0.64 -0.47 -0.60 5.30 -0.85 -0.98 -4.99 117.35 114.12 2k1x s TYR 66 Ca -0.01 1.14 0.06 0.00 -0.52 0.00 0.00 57.07 57.74 2k1x s TYR 66 Cb -0.06 0.16 0.23 0.00 0.38 0.00 0.00 41.96 42.67 2k1x s TYR 66 CO 0.00 -0.23 0.64 -1.13 -1.52 0.00 0.00 175.55 173.31 2k1x n SER 67 N 2.83 2.82 -4.93 -0.18 3.41 -1.26 -0.95 113.62 115.35 2k1x n SER 67 Ca -0.13 -3.22 -0.26 0.00 -0.26 0.00 0.00 58.87 55.00 2k1x n SER 67 Cb 0.57 -0.68 0.06 0.00 -0.26 0.00 0.00 64.21 63.90 2k1x n SER 67 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k1x s SER 68 N -1.94 5.00 0.00 4.04 0.15 -1.21 -4.90 113.70 114.83 2k1x s SER 68 Ca 0.36 0.48 0.04 0.00 0.70 0.00 0.00 55.95 57.52 2k1x s SER 68 Cb 0.11 -1.21 0.06 0.00 -1.71 0.00 0.00 66.02 63.27 2k1x s SER 68 CO -0.07 -1.47 0.82 1.33 1.20 0.00 0.00 173.24 175.06 2k1x n VAL 69 N -2.82 0.00 -2.66 4.45 0.24 -1.26 -3.57 118.33 112.70 2k1x n VAL 69 Ca 0.07 -0.14 -0.03 0.00 -2.04 0.00 0.00 64.34 62.20 2k1x n VAL 69 Cb 0.60 0.37 0.08 0.00 -1.47 0.00 0.00 33.84 33.42 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 0.07 0.21 0.00 7.34 0.28 -1.26 -4.94 120.64 122.34 2k1x n GLU 70 Ca -0.05 -0.77 0.00 0.00 -0.16 0.00 0.00 57.16 56.17 2k1x n GLU 70 Cb 0.68 -0.15 0.00 0.00 1.43 0.00 0.00 31.44 33.40 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 0.23 0.00 0.07 -1.84 2.88 -1.26 -5.02 113.62 108.68 2k1x n SER 71 Ca -0.10 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.37 2k1x n SER 71 Cb 0.73 0.03 -0.04 0.00 -0.75 0.00 0.00 64.21 64.19 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 -0.81 -0.16 -1.46 0.00 -1.94 -3.45 119.26 111.46 2k1x h ALA 72 Ca 0.00 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.03 2k1x h ALA 72 Cb 0.00 0.55 -0.18 0.00 0.00 0.00 0.00 17.79 18.16 2k1x h ALA 72 CO 0.00 -0.84 -0.05 0.20 0.00 0.00 0.00 179.25 178.56 2k1x s GLY 73 N -1.46 -1.34 -0.53 0.00 0.00 -1.26 -4.90 107.32 97.83 2k1x s GLY 73 Ca -0.07 1.65 0.07 0.00 0.00 0.00 0.00 44.72 46.38 2k1x s GLY 73 CO 0.24 4.29 0.70 1.39 0.00 0.00 0.00 173.10 179.72 2k1x n ILE 74 N 4.12 1.23 -0.52 0.90 -0.00 -1.26 -4.48 119.36 119.34 2k1x n ILE 74 Ca 0.07 -4.82 0.00 0.00 -0.00 0.00 0.00 62.75 58.00 2k1x n ILE 74 Cb 0.62 -1.81 0.00 0.00 -0.00 0.00 0.00 39.64 38.45 2k1x n ILE 74 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2k1x n PRO 75 N 0.85 0.20 0.04 0.38 -0.04 -1.14 -4.86 135.00 130.43 2k1x n PRO 75 Ca 0.27 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.76 2k1x n PRO 75 Cb 0.47 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.85 2k1x n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2k1x n ASP 76 N -1.84 0.75 -3.94 3.54 8.00 -1.23 -3.48 116.55 118.34 2k1x n ASP 76 Ca 0.00 0.32 -0.13 0.00 0.71 0.00 0.00 54.79 55.68 2k1x n ASP 76 Cb 0.00 0.41 -0.09 0.00 -0.02 0.00 0.00 41.12 41.42 2k1x n ASP 76 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2k1x s ASN 77 N -5.57 0.49 -0.93 -2.24 2.47 -1.21 -4.53 114.94 103.42 2k1x s ASN 77 Ca -0.03 -1.42 -0.25 0.00 0.42 0.00 0.00 52.86 51.58 2k1x s ASN 77 Cb 0.09 0.46 -0.08 0.00 -1.45 0.00 0.00 41.25 40.27 2k1x s ASN 77 CO 0.81 -0.95 2.03 -0.55 -3.72 0.00 0.00 177.10 174.73 2k1x s SER 78 N -3.19 4.84 -0.43 -4.21 0.15 -1.23 -4.27 113.70 105.36 2k1x s SER 78 Ca 0.37 -0.71 0.10 0.00 0.70 0.00 0.00 55.95 56.40 2k1x s SER 78 Cb 0.05 -2.56 0.33 0.00 -1.71 0.00 0.00 66.02 62.12 2k1x s SER 78 CO 0.15 -3.08 0.75 -0.38 1.20 0.00 0.00 173.24 171.89 2k1x n ILE 79 N 8.07 0.56 -3.49 6.45 2.08 -1.26 -4.97 119.36 126.80 2k1x n ILE 79 Ca 0.42 -4.75 -0.12 0.00 0.56 0.00 0.00 62.75 58.86 2k1x n ILE 79 Cb 0.46 -0.81 -0.03 0.00 -0.75 0.00 0.00 39.64 38.51 2k1x n ILE 79 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2k1x s SER 80 N -2.48 -0.51 0.02 4.38 0.15 -1.26 -0.74 113.70 113.25 2k1x s SER 80 Ca 0.41 0.23 -0.28 0.00 0.70 0.00 0.00 55.95 57.02 2k1x s SER 80 Cb 0.30 0.49 0.10 0.00 -1.71 0.00 0.00 66.02 65.20 2k1x s SER 80 CO -0.09 -0.71 0.83 -0.44 1.20 0.00 0.00 173.24 174.03 2k1x s SER 81 N -2.07 -0.42 -0.15 5.45 0.01 -0.27 -4.55 113.70 111.70 2k1x s SER 81 Ca -0.01 0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.17 2k1x s SER 81 Cb -0.01 0.43 0.04 0.00 0.21 0.00 0.00 66.02 66.70 2k1x s SER 81 CO -0.04 -0.68 0.37 0.72 0.41 0.00 0.00 173.24 174.02 2k1x s PHE 82 N -3.12 -0.47 -0.29 2.43 -0.71 -1.26 -1.83 117.98 112.73 2k1x s PHE 82 Ca 0.03 1.08 -0.17 0.00 -1.04 0.00 0.00 56.93 56.83 2k1x s PHE 82 Cb -0.01 0.17 -0.02 0.00 -1.21 0.00 0.00 43.02 41.95 2k1x s PHE 82 CO -0.09 -0.25 0.45 1.03 -1.34 0.00 0.00 175.22 175.02 2k1x s ARG 83 N 0.69 3.90 -0.93 1.99 1.81 -1.03 -4.06 118.95 121.32 2k1x s ARG 83 Ca -0.04 0.04 -0.24 0.00 -1.72 0.00 0.00 55.73 53.77 2k1x s ARG 83 Cb -0.05 -3.70 0.04 0.00 -0.45 0.00 0.00 34.95 30.78 2k1x s ARG 83 CO -0.05 -0.41 1.42 -0.65 -0.68 0.00 0.00 175.30 174.93 2k1x s GLN 84 N 2.22 3.44 0.00 3.54 -0.21 -1.26 -3.06 119.66 124.33 2k1x s GLN 84 Ca 0.18 -0.83 0.08 0.00 0.02 0.00 0.00 55.36 54.81 2k1x s GLN 84 Cb -0.16 -5.00 0.06 0.00 1.00 0.00 0.00 33.01 28.92 2k1x s GLN 84 CO 0.11 -2.22 0.76 0.44 -2.12 0.00 0.00 175.29 172.25