#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 7.11 -1.27 3.17 3.84 -1.26 -4.96 114.94 121.57 2k1x s ASN 2 Ca 0.00 1.39 -0.13 0.00 0.21 0.00 0.00 52.86 54.33 2k1x s ASN 2 Cb 0.00 -2.54 0.14 0.00 -0.55 0.00 0.00 41.25 38.30 2k1x s ASN 2 CO 0.00 -0.65 1.70 0.00 -2.79 0.00 0.00 177.10 175.37 2k1x n ALA 3 N 6.19 4.45 -2.52 1.71 0.00 -1.26 -4.22 120.51 124.86 2k1x n ALA 3 Ca 0.12 -4.16 -0.00 0.00 0.00 0.00 0.00 53.44 49.39 2k1x n ALA 3 Cb 0.46 -3.18 0.02 0.00 0.00 0.00 0.00 19.45 16.75 2k1x n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k1x n ALA 4 N 5.62 -1.37 -2.71 0.00 0.00 -1.26 -4.83 120.51 115.96 2k1x n ALA 4 Ca 0.41 -0.13 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 2k1x n ALA 4 Cb 0.41 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 19.26 2k1x n ALA 4 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2k1x s GLU 5 N 0.02 4.31 -0.14 0.00 -6.30 -1.26 -5.05 118.70 110.27 2k1x s GLU 5 Ca 0.01 0.40 0.01 0.00 -2.50 0.00 0.00 54.97 52.88 2k1x s GLU 5 Cb 0.06 -3.42 -0.00 0.00 0.00 0.00 0.00 34.13 30.76 2k1x s GLU 5 CO -0.02 0.20 -0.16 0.08 0.02 0.00 0.00 175.26 175.39 2k1x s VAL 6 N 0.50 2.71 -0.24 3.70 1.01 -1.26 -4.50 120.40 122.31 2k1x s VAL 6 Ca 0.24 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2k1x s VAL 6 Cb -0.15 -2.13 0.06 0.00 0.00 0.00 0.00 36.38 34.16 2k1x s VAL 6 CO 0.10 0.52 -0.09 -0.51 0.00 0.00 0.00 175.10 175.12 2k1x s ILE 7 N 0.65 1.81 -0.01 2.22 2.07 -1.23 -4.59 121.20 122.13 2k1x s ILE 7 Ca -0.08 -1.35 0.06 0.00 -1.41 0.00 0.00 60.65 57.88 2k1x s ILE 7 Cb -0.16 -1.97 -0.02 0.00 0.13 0.00 0.00 42.46 40.44 2k1x s ILE 7 CO 0.02 -0.02 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.14 2k1x s VAL 8 N 1.28 1.59 0.05 4.00 1.01 -1.24 -2.77 120.40 124.32 2k1x s VAL 8 Ca -0.06 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 2k1x s VAL 8 Cb -0.19 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.80 2k1x s VAL 8 CO -0.06 0.43 0.51 -0.31 0.00 0.00 0.00 175.10 175.67 2k1x s TYR 9 N -0.50 3.78 -0.52 5.22 1.51 -0.85 -2.66 117.35 123.33 2k1x s TYR 9 Ca 0.08 1.18 0.01 0.00 -1.01 0.00 0.00 57.07 57.32 2k1x s TYR 9 Cb -0.08 -2.42 0.50 0.00 -0.11 0.00 0.00 41.96 39.85 2k1x s TYR 9 CO -0.01 0.61 1.95 -1.91 -1.11 0.00 0.00 175.55 175.08 2k1x n GLU 10 N 1.76 2.36 -3.14 -0.62 4.07 0.10 -3.88 120.64 121.29 2k1x n GLU 10 Ca -0.12 -2.90 0.00 0.00 -0.06 0.00 0.00 57.16 54.09 2k1x n GLU 10 Cb 0.51 -2.14 0.00 0.00 -0.06 0.00 0.00 31.44 29.76 2k1x n GLU 10 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2k1x n HIS 11 N -0.85 0.00 -0.89 4.31 8.25 -1.25 -4.54 115.22 120.24 2k1x n HIS 11 Ca 0.56 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.72 2k1x n HIS 11 Cb 1.08 0.00 0.14 0.00 1.12 0.00 0.00 29.99 32.33 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 2.50 -0.77 1.59 1.01 -1.26 -3.09 120.40 117.38 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 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2k1x s VAL 12 CO 0.00 -0.21 2.91 -3.20 0.00 0.00 0.00 175.10 174.60 2k1x n ASN 13 N -4.00 6.98 -0.49 3.32 5.15 -1.26 -3.55 115.26 121.40 2k1x n ASN 13 Ca 0.11 -2.91 -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 38.40 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 1.92 0.00 0.00 1.20 -1.74 -1.26 -5.03 117.46 112.55 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 0.51 0.27 0.00 0.00 1.52 0.00 0.00 39.48 41.77 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 -0.31 3.29 4.97 0.00 -1.23 -5.18 105.19 106.71 2k1x n GLY 15 Ca -0.03 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.21 -0.02 0.00 -1.23 -4.67 107.32 102.62 2k1x s GLY 16 Ca 0.00 -1.62 -0.13 0.00 0.00 0.00 0.00 44.72 42.97 2k1x s GLY 16 CO 0.00 -1.27 0.25 1.25 0.00 0.00 0.00 173.10 173.33 2k1x s LYS 17 N -3.98 4.15 0.15 2.90 2.20 -1.26 -4.92 119.74 118.98 2k1x s LYS 17 Ca 0.36 -0.06 0.10 0.00 -0.36 0.00 0.00 55.97 56.02 2k1x s LYS 17 Cb 0.05 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 2k1x s LYS 17 CO 0.14 0.09 -0.21 -1.54 -0.36 0.00 0.00 175.35 173.47 2k1x s SER 18 N 0.88 3.67 -0.13 1.43 1.04 -1.26 0.02 113.70 119.35 2k1x s SER 18 Ca 0.13 -0.70 -0.02 0.00 0.48 0.00 0.00 55.95 55.83 2k1x s SER 18 Cb -0.13 -0.41 -0.03 0.00 0.10 0.00 0.00 66.02 65.55 2k1x s SER 18 CO 0.05 0.15 -0.04 -0.36 0.98 0.00 0.00 173.24 174.02 2k1x s PHE 19 N -1.37 3.02 -0.28 5.02 0.08 -1.09 -4.99 117.98 118.37 2k1x s PHE 19 Ca 0.19 -0.16 0.15 0.00 0.12 0.00 0.00 56.93 57.23 2k1x s PHE 19 Cb -0.09 -1.88 0.48 0.00 -0.57 0.00 0.00 43.02 40.96 2k1x s PHE 19 CO 0.10 0.12 1.14 -0.40 -0.10 0.00 0.00 175.22 176.07 2k1x n ASP 20 N 3.04 3.14 -3.55 1.36 5.68 -1.26 -3.65 116.55 121.30 2k1x n ASP 20 Ca -0.18 -2.87 -0.16 0.00 -0.50 0.00 0.00 54.79 51.08 2k1x n ASP 20 Cb 0.53 -0.42 -0.06 0.00 -1.14 0.00 0.00 41.12 40.03 2k1x n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k1x s ALA 21 N -3.67 -1.54 -1.57 2.12 0.00 -1.26 -5.05 121.76 110.78 2k1x s ALA 21 Ca 0.38 0.98 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 2k1x s ALA 21 Cb 0.37 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 2k1x s ALA 21 CO -0.01 -0.42 2.73 2.41 0.00 0.00 0.00 175.76 180.48 2k1x n THR 22 N 0.75 4.07 0.00 0.00 -1.04 -1.26 -4.25 114.28 112.55 2k1x n THR 22 Ca -0.19 -2.74 0.00 0.00 -2.04 0.00 0.00 64.05 59.08 2k1x n THR 22 Cb 0.58 -2.61 0.00 0.00 -1.82 0.00 0.00 70.33 66.48 2k1x n THR 22 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2k1x n SER 23 N 4.34 0.00 -3.28 8.00 3.41 -1.26 -4.96 113.62 119.88 2k1x n SER 23 Ca 0.70 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.97 2k1x n SER 23 Cb 0.28 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 2k1x n SER 23 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k1x n ASP 24 N -0.75 7.68 -2.77 4.04 8.00 -1.26 -4.35 116.55 127.13 2k1x n ASP 24 Ca 0.00 -2.50 -0.09 0.00 0.71 0.00 0.00 54.79 52.91 2k1x n ASP 24 Cb 0.00 -1.43 0.05 0.00 -0.02 0.00 0.00 41.12 39.72 2k1x n ASP 24 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2k1x n GLN 25 N 3.77 0.82 -0.34 -1.24 7.27 -1.26 -4.83 117.38 121.57 2k1x n GLN 25 Ca 0.69 -1.86 -0.09 0.00 0.07 0.00 0.00 57.00 55.81 2k1x n GLN 25 Cb 0.20 -1.39 0.08 0.00 2.41 0.00 0.00 30.24 31.55 2k1x n GLN 25 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2k1x n PRO 26 N 1.41 -1.65 -1.66 3.69 -0.04 -1.26 -5.07 135.00 130.42 2k1x n PRO 26 Ca 0.09 -0.56 -0.16 0.00 -0.04 0.00 0.00 63.50 62.83 2k1x n PRO 26 Cb 0.64 -0.52 0.10 0.00 -0.04 0.00 0.00 33.50 33.68 2k1x n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k1x n GLY 27 N 0.24 0.00 3.07 0.55 0.00 -1.26 -4.99 105.19 102.81 2k1x n GLY 27 Ca 0.05 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 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 -3.14 4.87 -1.00 4.61 0.00 -1.26 -4.91 120.51 119.68 2k1x n ALA 28 Ca -0.12 -4.35 0.00 0.00 0.00 0.00 0.00 53.44 48.97 2k1x n ALA 28 Cb 0.38 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 16.90 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 3.04 -1.78 2.58 0.00 0.00 -1.26 -4.09 105.19 103.68 2k1x n GLY 29 Ca 0.37 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.00 2k1x n GLY 29 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k1x n ASP 30 N 0.00 5.84 -3.44 1.61 5.75 -1.26 -4.55 116.55 120.49 2k1x n ASP 30 Ca 0.00 -2.67 -0.31 0.00 -0.01 0.00 0.00 54.79 51.81 2k1x n ASP 30 Cb 0.00 -1.52 0.28 0.00 -1.03 0.00 0.00 41.12 38.85 2k1x n ASP 30 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2k1x s ASN 31 N 2.96 -0.66 0.21 -1.12 3.04 -1.26 -5.06 114.94 113.06 2k1x s ASN 31 Ca 0.56 0.72 -0.14 0.00 0.04 0.00 0.00 52.86 54.04 2k1x s ASN 31 Cb 0.15 -0.98 0.05 0.00 -1.54 0.00 0.00 41.25 38.93 2k1x s ASN 31 CO -0.05 -5.10 0.70 0.18 -3.04 0.00 0.00 177.10 169.78 2k1x n LEU 32 N -5.44 0.00 -0.87 3.21 4.32 -1.26 -4.71 117.00 112.25 2k1x n LEU 32 Ca 0.14 -1.51 0.07 0.00 -0.02 0.00 0.00 56.01 54.69 2k1x n LEU 32 Cb 0.60 2.50 0.20 0.00 -1.62 0.00 0.00 43.42 45.11 2k1x n LEU 32 CO 0.42 -0.50 0.67 -0.46 -1.22 0.00 0.00 177.39 176.29 2k1x n ASN 33 N -1.26 2.51 -2.24 -1.43 6.94 -0.99 -4.15 115.26 114.64 2k1x n ASN 33 Ca -0.04 -2.04 -0.32 0.00 -0.02 0.00 0.00 54.58 52.17 2k1x n ASN 33 Cb 0.45 -0.32 0.06 0.00 -2.36 0.00 0.00 39.78 37.61 2k1x n ASN 33 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2k1x n ASP 34 N 0.79 6.85 -4.79 0.53 8.00 -1.26 -4.74 116.55 121.93 2k1x n ASP 34 Ca 0.15 -3.78 -0.38 0.00 0.71 0.00 0.00 54.79 51.49 2k1x n ASP 34 Cb 0.41 -0.78 -0.06 0.00 -0.02 0.00 0.00 41.12 40.67 2k1x n ASP 34 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2k1x s LYS 35 N -3.76 4.12 -0.28 -1.24 -2.85 -1.26 -5.06 119.74 109.42 2k1x s LYS 35 Ca 0.61 0.48 0.01 0.00 -1.00 0.00 0.00 55.97 56.07 2k1x s LYS 35 Cb 0.48 -3.30 0.16 0.00 -2.06 0.00 0.00 37.83 33.11 2k1x s LYS 35 CO 0.00 0.49 0.41 -1.50 0.10 0.00 0.00 175.35 174.86 2k1x s ILE 36 N -0.49 -0.64 0.00 3.79 2.07 -1.26 -4.79 121.20 119.88 2k1x s ILE 36 Ca 0.25 -0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 2k1x s ILE 36 Cb -0.17 -0.96 0.00 0.00 0.13 0.00 0.00 42.46 41.46 2k1x s ILE 36 CO 0.13 -0.25 0.00 -1.54 -1.91 0.00 0.00 174.94 171.38 2k1x n SER 37 N 5.36 0.00 -4.26 4.50 3.41 -1.25 -3.86 113.62 117.51 2k1x n SER 37 Ca -0.00 -0.56 -0.18 0.00 -0.26 0.00 0.00 58.87 57.87 2k1x n SER 37 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.31 2.11 -0.01 4.04 0.15 -1.18 -3.52 113.70 115.60 2k1x s SER 38 Ca 0.00 -0.87 0.08 0.00 0.70 0.00 0.00 55.95 55.86 2k1x s SER 38 Cb 0.00 -0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.21 2k1x s SER 38 CO 0.00 -0.16 -0.25 -0.63 1.20 0.00 0.00 173.24 173.40 2k1x s ILE 39 N -2.38 1.95 -0.07 6.45 1.09 -0.12 -2.01 121.20 126.12 2k1x s ILE 39 Ca 0.12 -1.09 -0.03 0.00 -1.10 0.00 0.00 60.65 58.56 2k1x s ILE 39 Cb -0.03 -1.63 0.04 0.00 -1.06 0.00 0.00 42.46 39.78 2k1x s ILE 39 CO 0.03 0.52 0.11 -0.75 -0.10 0.00 0.00 174.94 174.76 2k1x s LYS 40 N -0.66 -0.02 -0.02 2.79 2.20 -1.12 -2.22 119.74 120.69 2k1x s LYS 40 Ca 0.10 0.44 0.08 0.00 -0.36 0.00 0.00 55.97 56.22 2k1x s LYS 40 Cb -0.10 -0.48 -0.02 0.00 -1.51 0.00 0.00 37.83 35.73 2k1x s LYS 40 CO -0.01 -0.34 -0.26 0.54 -0.36 0.00 0.00 175.35 174.92 2k1x s VAL 41 N 2.23 2.06 -0.22 4.02 0.11 -1.23 -3.47 120.40 123.90 2k1x s VAL 41 Ca 0.04 -1.10 0.22 0.00 -2.93 0.00 0.00 61.98 58.21 2k1x s VAL 41 Cb -0.12 -1.71 0.48 0.00 -1.53 0.00 0.00 36.38 33.50 2k1x s VAL 41 CO -0.05 0.58 1.15 1.17 -3.33 0.00 0.00 175.10 174.62 2k1x n LYS 42 N 2.48 1.40 0.00 1.54 3.00 -1.26 -3.85 118.16 121.47 2k1x n LYS 42 Ca -0.16 -3.06 0.00 0.00 -0.00 0.00 0.00 58.31 55.09 2k1x n LYS 42 Cb 0.51 -1.17 0.00 0.00 0.00 0.00 0.00 35.03 34.37 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 -0.48 0.00 0.00 3.14 7.64 -1.26 -4.93 113.62 117.73 2k1x n SER 43 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2k1x n SER 43 Cb 0.86 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 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 -1.32 3.22 0.23 0.00 -1.26 -4.62 105.19 101.44 2k1x n GLY 44 Ca 0.00 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.16 0.44 2.61 -4.23 -1.26 -4.68 115.64 108.36 2k1x s THR 45 Ca 0.00 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 2k1x s THR 45 Cb 0.00 -0.58 -0.00 0.00 1.34 0.00 0.00 72.50 73.26 2k1x s THR 45 CO 0.00 0.05 0.65 0.26 -0.54 0.00 0.00 174.62 175.04 2k1x s TRP 46 N 1.66 3.19 -0.20 3.99 0.51 -1.19 -3.54 118.94 123.36 2k1x s TRP 46 Ca -0.07 0.16 0.01 0.00 -2.12 0.00 0.00 56.10 54.08 2k1x s TRP 46 Cb -0.10 -2.29 0.03 0.00 -0.81 0.00 0.00 33.47 30.31 2k1x s TRP 46 CO -0.12 -0.33 -0.17 1.03 -0.51 0.00 0.00 176.95 176.84 2k1x s ARG 47 N -4.51 2.78 -0.21 4.98 3.00 -0.00 -2.14 118.95 122.86 2k1x s ARG 47 Ca 0.48 -0.97 -0.07 0.00 0.00 0.00 0.00 55.73 55.17 2k1x s ARG 47 Cb -0.10 -2.67 -0.03 0.00 0.00 0.00 0.00 34.95 32.15 2k1x s ARG 47 CO 0.37 -0.31 0.05 -0.06 0.00 0.00 0.00 175.30 175.35 2k1x s PHE 48 N 1.24 3.15 -0.04 -0.53 0.08 -0.06 -0.10 117.98 121.71 2k1x s PHE 48 Ca 0.01 -0.18 -0.02 0.00 0.12 0.00 0.00 56.93 56.87 2k1x s PHE 48 Cb -0.15 -2.13 0.03 0.00 -0.57 0.00 0.00 43.02 40.20 2k1x s PHE 48 CO -0.11 -0.09 0.08 1.52 -0.10 0.00 0.00 175.22 176.52 2k1x s TYR 49 N 0.91 -0.02 -0.87 0.36 1.13 -0.57 -1.02 117.35 117.26 2k1x s TYR 49 Ca 0.03 0.29 -0.13 0.00 -1.41 0.00 0.00 57.07 55.86 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 -0.16 0.81 -1.21 -2.51 0.00 0.00 175.55 172.51 2k1x s GLU 50 N 1.57 3.68 0.00 -3.49 8.01 -1.26 -1.50 118.70 125.71 2k1x s GLU 50 Ca -0.03 -2.58 0.00 0.00 0.01 0.00 0.00 54.97 52.36 2k1x s GLU 50 Cb -0.12 -4.44 0.00 0.00 -4.31 0.00 0.00 34.13 25.26 2k1x s GLU 50 CO -0.04 -1.28 0.00 0.98 0.01 0.00 0.00 175.26 174.93 2k1x n TYR 51 N 3.77 0.00 -0.59 1.61 4.19 0.85 -4.39 117.16 122.60 2k1x n TYR 51 Ca 0.15 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 61.08 2k1x n TYR 51 Cb 0.46 0.00 0.18 0.00 0.49 0.00 0.00 39.34 40.47 2k1x n TYR 51 CO 0.00 0.00 0.00 0.44 0.91 0.00 0.00 176.86 178.21 2k1x n ILE 52 N -0.20 0.00 -1.01 2.97 -5.35 -1.25 -3.72 119.36 110.80 2k1x n ILE 52 Ca 0.00 -0.22 -0.25 0.00 -0.27 0.00 0.00 62.75 62.01 2k1x n ILE 52 Cb 0.00 -0.62 -0.07 0.00 -1.74 0.00 0.00 39.64 37.21 2k1x n ILE 52 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2k1x n ASN 53 N -2.02 6.32 0.00 7.28 5.15 -1.26 -3.87 115.26 126.86 2k1x n ASN 53 Ca 0.03 -2.42 0.00 0.00 -0.60 0.00 0.00 54.58 51.59 2k1x n ASN 53 Cb 0.55 -1.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 2k1x n ASN 53 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2k1x n TYR 54 N 3.38 -1.26 0.00 1.20 4.02 -1.26 -5.16 117.16 118.08 2k1x n TYR 54 Ca 0.56 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.45 2k1x n TYR 54 Cb 0.40 0.51 0.00 0.00 -0.02 0.00 0.00 39.34 40.23 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 0.01 3.40 0.00 2.72 0.00 -1.25 -5.14 105.19 104.92 2k1x n GLY 55 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 5.00 0.97 3.57 -0.02 0.00 -1.26 -4.63 105.19 108.81 2k1x n GLY 56 Ca 0.00 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.34 3.29 -0.54 1.61 1.04 -1.26 -4.92 118.95 116.83 2k1x s ARG 57 Ca 0.00 0.16 -0.28 0.00 -1.04 0.00 0.00 55.73 54.57 2k1x s ARG 57 Cb 0.00 -4.13 0.02 0.00 -2.04 0.00 0.00 34.95 28.80 2k1x s ARG 57 CO 0.00 -1.98 1.32 -0.47 -0.04 0.00 0.00 175.30 174.13 2k1x s TYR 58 N 5.79 2.44 -0.23 5.89 5.04 -1.26 -3.98 117.35 131.03 2k1x s TYR 58 Ca 0.44 0.50 -0.03 0.00 -2.44 0.00 0.00 57.07 55.55 2k1x s TYR 58 Cb -0.09 -4.43 0.07 0.00 0.35 0.00 0.00 41.96 37.87 2k1x s TYR 58 CO 0.21 -1.80 0.06 -0.46 -1.34 0.00 0.00 175.55 172.22 2k1x s TRP 59 N 5.50 1.07 -0.03 4.97 -0.00 -0.19 -4.99 118.94 125.27 2k1x s TRP 59 Ca 0.50 -1.03 -0.17 0.00 -0.00 0.00 0.00 56.10 55.40 2k1x s TRP 59 Cb -0.10 -1.15 -0.05 0.00 -0.00 0.00 0.00 33.47 32.17 2k1x s TRP 59 CO 0.27 -0.69 0.46 0.16 -0.00 0.00 0.00 176.95 177.14 2k1x s ASP 60 N 1.84 6.81 -0.10 5.86 -4.77 -1.26 -0.88 116.67 124.17 2k1x s ASP 60 Ca 0.03 0.96 -0.06 0.00 -3.30 0.00 0.00 52.55 50.17 2k1x s ASP 60 Cb -0.17 -2.28 -0.04 0.00 -1.09 0.00 0.00 42.92 39.34 2k1x s ASP 60 CO -0.15 0.21 0.14 -1.48 0.70 0.00 0.00 175.17 174.59 2k1x s LEU 61 N -0.52 4.36 0.00 2.11 0.05 -0.91 -4.96 118.68 118.82 2k1x s LEU 61 Ca 0.25 0.44 0.00 0.00 0.05 0.00 0.00 54.13 54.87 2k1x s LEU 61 Cb -0.17 -2.14 0.00 0.00 -2.05 0.00 0.00 46.19 41.83 2k1x s LEU 61 CO 0.13 0.39 0.00 0.61 -0.55 0.00 0.00 176.35 176.93 2k1x n GLY 62 N 1.83 5.78 3.39 -3.48 0.00 -1.26 -3.19 105.19 108.26 2k1x n GLY 62 Ca -0.19 -2.05 -0.49 0.00 0.00 0.00 0.00 46.02 43.29 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 0.03 0.00 1.61 -0.02 -1.26 -4.68 135.00 130.68 2k1x n PRO 63 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2k1x n PRO 63 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 6.92 2.94 3.21 -1.23 0.00 -1.25 -5.05 105.19 110.72 2k1x n GLY 64 Ca 0.61 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.12 1.00 -0.18 1.61 -6.30 -1.26 -3.48 118.70 107.97 2k1x s GLU 65 Ca 0.00 -0.98 -0.16 0.00 -2.50 0.00 0.00 54.97 51.33 2k1x s GLU 65 Cb 0.00 -1.11 0.05 0.00 0.00 0.00 0.00 34.13 33.07 2k1x s GLU 65 CO 0.00 0.26 0.49 1.52 0.02 0.00 0.00 175.26 177.55 2k1x s TYR 66 N -1.09 -0.55 -0.62 5.30 -0.85 -0.94 -4.99 117.35 113.61 2k1x s TYR 66 Ca 0.02 1.33 0.06 0.00 -0.52 0.00 0.00 57.07 57.96 2k1x s TYR 66 Cb -0.09 0.20 0.24 0.00 0.38 0.00 0.00 41.96 42.68 2k1x s TYR 66 CO 0.03 -0.27 0.68 0.43 -1.52 0.00 0.00 175.55 174.89 2k1x n SER 67 N 2.95 3.17 -4.86 -0.18 7.64 -1.26 -0.94 113.62 120.13 2k1x n SER 67 Ca -0.14 -3.31 -0.24 0.00 1.01 0.00 0.00 58.87 56.20 2k1x n SER 67 Cb 0.57 -0.68 0.07 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.14 4.82 0.00 6.43 0.01 -1.23 -4.91 113.70 116.68 2k1x s SER 68 Ca 0.37 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2k1x s SER 68 Cb 0.12 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.60 2k1x s SER 68 CO -0.05 -1.52 0.61 0.55 0.41 0.00 0.00 173.24 173.23 2k1x n VAL 69 N -2.71 0.00 -2.17 3.43 3.14 -1.26 -3.88 118.33 114.87 2k1x n VAL 69 Ca 0.10 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.47 2k1x n VAL 69 Cb 0.60 0.17 0.01 0.00 -1.06 0.00 0.00 33.84 33.56 2k1x n VAL 69 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2k1x n GLU 70 N 0.00 0.21 0.00 1.45 0.28 -1.26 -4.98 120.64 116.34 2k1x n GLU 70 Ca -0.09 -0.29 0.00 0.00 -0.16 0.00 0.00 57.16 56.62 2k1x n GLU 70 Cb 0.52 0.27 0.00 0.00 1.43 0.00 0.00 31.44 33.66 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 -0.24 0.00 0.06 -1.84 2.88 -1.26 -4.98 113.62 108.25 2k1x n SER 71 Ca -0.06 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.35 2k1x n SER 71 Cb 0.50 0.01 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 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 -0.89 0.00 -1.46 0.00 -1.94 -3.44 119.26 111.53 2k1x h ALA 72 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k1x h ALA 72 Cb 0.00 0.86 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2k1x h ALA 72 CO 0.00 -1.02 0.00 0.41 0.00 0.00 0.00 179.25 178.64 2k1x n GLY 73 N -1.39 -1.36 2.39 0.00 0.00 -1.26 -5.02 105.19 98.54 2k1x n GLY 73 Ca -0.06 0.97 -0.16 0.00 0.00 0.00 0.00 46.02 46.77 2k1x n GLY 73 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k1x n ILE 74 N 0.00 -0.25 -0.02 -0.61 -0.00 -1.26 -4.74 119.36 112.47 2k1x n ILE 74 Ca 0.00 -3.32 -0.17 0.00 -0.00 0.00 0.00 62.75 59.25 2k1x n ILE 74 Cb 0.00 -0.10 -0.14 0.00 -0.00 0.00 0.00 39.64 39.41 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 3.43 0.14 0.00 6.28 0.13 -1.90 -3.46 132.00 136.61 2k1x h PRO 75 Ca 0.01 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2k1x h PRO 75 Cb 0.98 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2k1x h PRO 75 CO 0.39 1.12 0.00 -3.47 -0.23 0.00 0.00 178.00 175.80 2k1x n ASP 76 N -4.36 0.00 -2.57 1.44 2.03 -1.26 -4.98 116.55 106.85 2k1x n ASP 76 Ca -0.14 -0.84 -0.25 0.00 0.52 0.00 0.00 54.79 54.08 2k1x n ASP 76 Cb 0.66 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.97 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 -0.25 6.59 -1.93 1.67 3.02 -1.26 -2.35 115.26 120.75 2k1x n ASN 77 Ca 0.00 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.75 2k1x n ASN 77 Cb 0.00 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 37.79 2k1x n ASN 77 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2k1x n SER 78 N 2.09 0.00 -4.75 6.41 7.64 -1.26 -5.00 113.62 118.74 2k1x n SER 78 Ca 0.54 -0.96 -0.40 0.00 1.01 0.00 0.00 58.87 59.05 2k1x n SER 78 Cb 0.60 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.94 4.41 -0.16 0.44 1.01 -1.26 -4.52 121.20 122.05 2k1x s ILE 79 Ca 0.00 1.88 -0.22 0.00 0.00 0.00 0.00 60.65 62.31 2k1x s ILE 79 Cb 0.00 -4.23 0.06 0.00 0.01 0.00 0.00 42.46 38.30 2k1x s ILE 79 CO 0.00 0.43 0.57 -0.44 0.00 0.00 0.00 174.94 175.50 2k1x s SER 80 N -0.61 -0.57 0.22 3.58 0.01 -1.24 -0.11 113.70 114.97 2k1x s SER 80 Ca 0.41 0.96 -0.23 0.00 1.31 0.00 0.00 55.95 58.39 2k1x s SER 80 Cb -0.23 0.96 0.04 0.00 0.21 0.00 0.00 66.02 67.00 2k1x s SER 80 CO 0.28 -0.31 0.78 -0.55 0.41 0.00 0.00 173.24 173.85 2k1x s SER 81 N -0.18 -0.28 -0.15 2.44 0.15 -0.56 -4.23 113.70 110.90 2k1x s SER 81 Ca -0.04 -0.45 -0.11 0.00 0.70 0.00 0.00 55.95 56.05 2k1x s SER 81 Cb -0.03 0.63 0.05 0.00 -1.71 0.00 0.00 66.02 64.95 2k1x s SER 81 CO 0.03 -1.14 0.39 0.72 1.20 0.00 0.00 173.24 174.43 2k1x s PHE 82 N -3.68 -0.49 -0.05 3.44 -0.71 -1.26 -1.51 117.98 113.72 2k1x s PHE 82 Ca 0.10 1.12 -0.24 0.00 -1.04 0.00 0.00 56.93 56.87 2k1x s PHE 82 Cb -0.04 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 2k1x s PHE 82 CO 0.02 -0.26 0.72 0.50 -1.34 0.00 0.00 175.22 174.87 2k1x s ARG 83 N 0.72 4.45 -0.51 1.99 3.00 0.86 -4.63 118.95 124.83 2k1x s ARG 83 Ca -0.04 0.93 -0.29 0.00 -1.00 0.00 0.00 55.73 55.33 2k1x s ARG 83 Cb -0.05 -3.44 0.03 0.00 0.00 0.00 0.00 34.95 31.49 2k1x s ARG 83 CO -0.05 0.09 1.16 -0.65 0.00 0.00 0.00 175.30 175.85 2k1x s GLN 84 N 0.69 3.65 0.00 5.12 -0.21 -1.26 -0.82 119.66 126.83 2k1x s GLN 84 Ca 0.38 0.46 0.00 0.00 0.02 0.00 0.00 55.36 56.22 2k1x s GLN 84 Cb -0.18 -3.95 0.00 0.00 1.00 0.00 0.00 33.01 29.88 2k1x s GLN 84 CO 0.19 -1.49 0.00 -0.89 -2.12 0.00 0.00 175.29 170.98