#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 -0.59 -1.41 6.12 2.20 -1.26 -5.07 114.94 114.94 2k1x s ASN 2 Ca 0.00 1.05 -0.12 0.00 -0.94 0.00 0.00 52.86 52.85 2k1x s ASN 2 Cb 0.00 1.00 0.08 0.00 -2.00 0.00 0.00 41.25 40.33 2k1x s ASN 2 CO 0.00 -0.19 2.16 0.00 -2.94 0.00 0.00 177.10 176.13 2k1x n ALA 3 N 3.50 5.63 -2.64 3.54 0.00 -1.26 -4.92 120.51 124.36 2k1x n ALA 3 Ca -0.18 -4.01 -0.42 0.00 0.00 0.00 0.00 53.44 48.84 2k1x n ALA 3 Cb 0.56 -3.34 -0.03 0.00 0.00 0.00 0.00 19.45 16.65 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 2.15 2.86 -0.10 0.00 0.00 -1.26 -5.00 121.76 120.42 2k1x s ALA 4 Ca 0.46 -1.74 -0.21 0.00 0.00 0.00 0.00 51.96 50.47 2k1x s ALA 4 Cb 0.13 -4.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.00 2k1x s ALA 4 CO -0.06 -3.22 0.59 -1.21 0.00 0.00 0.00 175.76 171.86 2k1x s GLU 5 N 5.03 4.38 -0.14 0.00 2.02 -1.26 -4.93 118.70 123.81 2k1x s GLU 5 Ca 0.34 0.67 0.01 0.00 0.02 0.00 0.00 54.97 56.01 2k1x s GLU 5 Cb -0.08 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.69 2k1x s GLU 5 CO 0.07 0.09 -0.15 0.08 0.02 0.00 0.00 175.26 175.37 2k1x s VAL 6 N 0.79 2.74 -0.23 2.63 1.01 -1.26 -4.69 120.40 121.39 2k1x s VAL 6 Ca 0.32 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2k1x s VAL 6 Cb -0.16 -2.14 0.06 0.00 0.00 0.00 0.00 36.38 34.13 2k1x s VAL 6 CO 0.14 0.52 -0.07 -0.51 0.00 0.00 0.00 175.10 175.19 2k1x s ILE 7 N 0.60 1.59 0.03 2.22 2.07 -1.23 -4.26 121.20 122.22 2k1x s ILE 7 Ca -0.09 -1.21 0.08 0.00 -1.41 0.00 0.00 60.65 58.01 2k1x s ILE 7 Cb -0.16 -1.82 -0.02 0.00 0.13 0.00 0.00 42.46 40.59 2k1x s ILE 7 CO 0.03 -0.05 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.10 2k1x s VAL 8 N 1.37 1.82 -0.11 4.00 1.01 -1.24 -2.33 120.40 124.92 2k1x s VAL 8 Ca -0.05 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 60.68 2k1x s VAL 8 Cb -0.18 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2k1x s VAL 8 CO -0.06 0.30 0.04 -0.31 0.00 0.00 0.00 175.10 175.07 2k1x s TYR 9 N -0.75 3.26 -0.54 5.22 1.51 -0.98 -2.92 117.35 122.15 2k1x s TYR 9 Ca 0.09 0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 56.36 2k1x s TYR 9 Cb -0.09 -1.86 0.28 0.00 -0.11 0.00 0.00 41.96 40.18 2k1x s TYR 9 CO 0.01 0.47 2.17 -1.91 -1.11 0.00 0.00 175.55 175.19 2k1x n GLU 10 N 2.31 2.35 -3.35 -0.62 2.13 0.23 -3.86 120.64 119.83 2k1x n GLU 10 Ca -0.19 -2.56 0.00 0.00 0.66 0.00 0.00 57.16 55.07 2k1x n GLU 10 Cb 0.54 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.22 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 -0.10 0.00 -0.95 4.31 8.25 -1.26 -4.53 115.22 120.94 2k1x n HIS 11 Ca 0.48 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.63 2k1x n HIS 11 Cb 0.55 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.79 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 -2.91 2.56 -0.72 1.59 1.01 -1.21 -3.06 120.40 117.65 2k1x s VAL 12 Ca 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 2k1x s VAL 12 Cb 0.00 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2k1x s VAL 12 CO 0.00 -0.23 2.94 -3.20 0.00 0.00 0.00 175.10 174.61 2k1x n ASN 13 N -3.89 6.88 -0.49 3.32 5.15 -1.26 -3.53 115.26 121.44 2k1x n ASN 13 Ca 0.11 -2.90 -0.01 0.00 -0.60 0.00 0.00 54.58 51.18 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 -5.02 117.46 112.56 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 0.53 0.27 0.00 0.00 1.52 0.00 0.00 39.48 41.79 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 -0.23 3.28 4.97 0.00 -1.23 -5.18 105.19 106.79 2k1x n GLY 15 Ca -0.03 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 1.41 -0.07 -0.02 0.00 -1.23 -4.67 107.32 102.74 2k1x s GLY 16 Ca 0.00 -1.61 -0.17 0.00 0.00 0.00 0.00 44.72 42.94 2k1x s GLY 16 CO 0.00 -1.28 0.44 -1.59 0.00 0.00 0.00 173.10 170.68 2k1x s LYS 17 N -4.01 4.19 0.21 2.90 0.00 -1.26 -4.93 119.74 116.83 2k1x s LYS 17 Ca 0.36 0.42 0.11 0.00 0.00 0.00 0.00 55.97 56.87 2k1x s LYS 17 Cb 0.05 -3.35 -0.04 0.00 0.00 0.00 0.00 37.83 34.48 2k1x s LYS 17 CO 0.14 0.37 -0.23 -1.54 0.00 0.00 0.00 175.35 174.09 2k1x s SER 18 N -0.06 3.49 -0.17 0.03 1.04 -1.26 -0.60 113.70 116.17 2k1x s SER 18 Ca 0.25 -0.88 -0.05 0.00 0.48 0.00 0.00 55.95 55.75 2k1x s SER 18 Cb -0.16 -0.28 0.08 0.00 0.10 0.00 0.00 66.02 65.77 2k1x s SER 18 CO 0.11 0.11 0.31 0.72 0.98 0.00 0.00 173.24 175.47 2k1x s PHE 19 N -1.80 -0.54 -0.51 5.02 -0.12 -1.15 -5.01 117.98 113.87 2k1x s PHE 19 Ca 0.22 0.99 0.03 0.00 -0.05 0.00 0.00 56.93 58.13 2k1x s PHE 19 Cb -0.08 0.01 0.15 0.00 -0.63 0.00 0.00 43.02 42.48 2k1x s PHE 19 CO 0.11 -0.46 0.33 0.16 -0.05 0.00 0.00 175.22 175.30 2k1x s ASP 20 N 2.47 3.55 0.93 1.98 -4.77 -1.26 -3.69 116.67 115.88 2k1x s ASP 20 Ca 0.03 -3.05 0.00 0.00 -3.30 0.00 0.00 52.55 46.22 2k1x s ASP 20 Cb -0.13 -1.10 0.00 0.00 -1.09 0.00 0.00 42.92 40.60 2k1x s ASP 20 CO -0.11 -0.20 0.00 0.00 0.70 0.00 0.00 175.17 175.56 2k1x n ALA 21 N 2.97 0.00 -2.75 2.11 0.00 -1.26 -4.98 120.51 116.61 2k1x n ALA 21 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 2k1x n ALA 21 Cb 0.37 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.89 1.40 -2.66 0.00 5.66 -1.26 -4.53 114.28 111.01 2k1x n THR 22 Ca 0.00 -3.04 -0.03 0.00 -3.05 0.00 0.00 64.05 57.93 2k1x n THR 22 Cb 0.00 1.04 0.11 0.00 -1.55 0.00 0.00 70.33 69.93 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 -0.60 -1.37 -1.68 1.09 3.41 -1.26 -5.11 113.62 108.09 2k1x n SER 23 Ca 0.11 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 2k1x n SER 23 Cb 0.82 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.45 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 -1.20 -7.07 -4.87 4.04 -0.08 -1.26 -4.99 116.55 101.12 2k1x n ASP 24 Ca -0.14 1.05 -0.31 0.00 -1.51 0.00 0.00 54.79 53.88 2k1x n ASP 24 Cb 0.83 -3.94 0.03 0.00 2.34 0.00 0.00 41.12 40.37 2k1x n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k1x s GLN 25 N -1.26 3.29 -1.45 -0.67 -2.07 -1.26 -4.96 119.66 111.29 2k1x s GLN 25 Ca 0.00 0.65 -0.12 0.00 -1.82 0.00 0.00 55.36 54.07 2k1x s GLN 25 Cb 0.00 -2.05 0.05 0.00 -1.09 0.00 0.00 33.01 29.91 2k1x s GLN 25 CO 0.00 -0.77 2.27 -0.35 -1.32 0.00 0.00 175.29 175.12 2k1x n PRO 26 N -2.86 3.17 0.00 9.60 -0.04 -1.26 -4.95 135.00 138.65 2k1x n PRO 26 Ca 0.06 -2.74 0.00 0.00 -0.04 0.00 0.00 63.50 60.78 2k1x n PRO 26 Cb 0.55 -3.14 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 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 3.71 -0.03 1.39 0.55 0.00 -1.26 -4.73 105.19 104.82 2k1x n GLY 27 Ca 0.54 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 0.60 3.20 -2.17 4.61 0.00 -1.26 -5.04 120.51 120.45 2k1x n ALA 28 Ca 0.00 -1.33 -0.31 0.00 0.00 0.00 0.00 53.44 51.80 2k1x n ALA 28 Cb 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 2k1x n ALA 28 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k1x s GLY 29 N -1.46 0.46 -0.00 0.00 0.00 -1.26 -4.39 107.32 100.66 2k1x s GLY 29 Ca 0.13 -2.28 0.10 0.00 0.00 0.00 0.00 44.72 42.67 2k1x s GLY 29 CO -0.07 3.39 1.07 2.09 0.00 0.00 0.00 173.10 179.58 2k1x n ASP 30 N 13.19 0.40 -2.32 1.64 5.68 -1.26 -5.08 116.55 128.80 2k1x n ASP 30 Ca 0.45 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 2k1x n ASP 30 Cb 0.46 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2k1x n ASP 30 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2k1x n ASN 31 N 0.19 -0.57 -0.91 -1.12 4.13 -1.26 -5.03 115.26 110.69 2k1x n ASN 31 Ca 0.02 -0.68 0.00 0.00 1.68 0.00 0.00 54.58 55.60 2k1x n ASN 31 Cb 0.88 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.12 2k1x n ASN 31 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2k1x n LEU 32 N 0.00 0.00 0.26 3.41 7.94 -1.26 -4.33 117.00 123.03 2k1x n LEU 32 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 2k1x n LEU 32 Cb 0.00 0.00 0.73 0.00 0.53 0.00 0.00 43.42 44.68 2k1x n LEU 32 CO 0.00 0.00 0.97 -0.55 -1.11 0.00 0.00 177.39 176.70 2k1x h ASN 33 N 0.00 0.00 -2.08 1.96 -1.07 -0.76 -3.24 115.58 110.39 2k1x h ASN 33 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 56.30 55.85 2k1x h ASN 33 Cb 0.00 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 35.85 2k1x h ASN 33 CO 0.00 0.11 -1.03 -0.67 0.07 0.00 0.00 177.43 175.91 2k1x n ASP 34 N -3.56 1.76 -4.81 6.14 2.03 -1.26 -4.68 116.55 112.16 2k1x n ASP 34 Ca -0.02 -3.16 -0.38 0.00 0.52 0.00 0.00 54.79 51.76 2k1x n ASP 34 Cb 0.25 -0.61 -0.06 0.00 -0.72 0.00 0.00 41.12 39.98 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 -2.56 4.20 -0.26 -0.67 0.00 -1.22 -5.06 119.74 114.16 2k1x s LYS 35 Ca 0.42 0.74 -0.01 0.00 0.00 0.00 0.00 55.97 57.12 2k1x s LYS 35 Cb 0.31 -3.17 0.15 0.00 0.00 0.00 0.00 37.83 35.12 2k1x s LYS 35 CO -0.09 0.59 0.43 0.96 0.00 0.00 0.00 175.35 177.24 2k1x s ILE 36 N -1.20 -0.70 0.08 3.79 -4.36 -1.26 -4.78 121.20 112.78 2k1x s ILE 36 Ca 0.32 -0.09 -0.01 0.00 -0.26 0.00 0.00 60.65 60.61 2k1x s ILE 36 Cb -0.19 -0.89 0.00 0.00 1.25 0.00 0.00 42.46 42.64 2k1x s ILE 36 CO 0.20 -0.12 0.12 -1.54 0.24 0.00 0.00 174.94 173.84 2k1x n SER 37 N 5.38 -0.35 -4.07 4.36 3.41 -1.23 -3.36 113.62 117.76 2k1x n SER 37 Ca -0.02 -1.44 -0.14 0.00 -0.26 0.00 0.00 58.87 57.01 2k1x n SER 37 Cb 0.50 0.64 -0.12 0.00 -0.26 0.00 0.00 64.21 64.98 2k1x n SER 37 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2k1x s SER 38 N -1.52 0.96 -0.26 4.04 1.04 -1.17 -3.23 113.70 113.57 2k1x s SER 38 Ca 0.07 -0.54 0.03 0.00 0.48 0.00 0.00 55.95 55.98 2k1x s SER 38 Cb -0.00 0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.20 2k1x s SER 38 CO 0.05 -0.17 -0.10 -0.63 0.98 0.00 0.00 173.24 173.36 2k1x s ILE 39 N -1.31 2.08 -0.18 -1.02 1.09 -0.45 -2.33 121.20 119.09 2k1x s ILE 39 Ca -0.08 -1.59 -0.15 0.00 -1.10 0.00 0.00 60.65 57.73 2k1x s ILE 39 Cb -0.10 -2.21 -0.04 0.00 -1.06 0.00 0.00 42.46 39.05 2k1x s ILE 39 CO 0.01 -0.05 0.35 -0.75 -0.10 0.00 0.00 174.94 174.40 2k1x s LYS 40 N 1.14 4.22 -0.00 2.79 2.20 -0.98 -0.19 119.74 128.92 2k1x s LYS 40 Ca -0.08 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.69 2k1x s LYS 40 Cb -0.20 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 2k1x s LYS 40 CO -0.05 0.10 -0.00 0.54 -0.36 0.00 0.00 175.35 175.57 2k1x s VAL 41 N 0.89 0.03 -0.28 4.02 0.11 -1.22 -3.55 120.40 120.39 2k1x s VAL 41 Ca 0.18 0.00 0.20 0.00 -2.93 0.00 0.00 61.98 59.44 2k1x s VAL 41 Cb -0.14 -0.04 0.48 0.00 -1.53 0.00 0.00 36.38 35.15 2k1x s VAL 41 CO 0.06 0.02 1.21 1.17 -3.33 0.00 0.00 175.10 174.23 2k1x n LYS 42 N 3.18 1.61 -3.65 1.54 0.00 -1.26 -1.74 118.16 117.85 2k1x n LYS 42 Ca -0.14 -2.94 -0.01 0.00 0.00 0.00 0.00 58.31 55.22 2k1x n LYS 42 Cb 0.59 -1.10 -0.07 0.00 0.00 0.00 0.00 35.03 34.45 2k1x n LYS 42 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2k1x s SER 43 N -3.12 -0.02 0.61 3.14 1.04 -1.26 -5.02 113.70 109.07 2k1x s SER 43 Ca 0.23 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2k1x s SER 43 Cb 0.36 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2k1x s SER 43 CO -0.06 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2k1x n GLY 44 N 1.89 0.86 3.25 7.32 0.00 -1.26 -4.88 105.19 112.37 2k1x n GLY 44 Ca -0.12 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 0.06 0.37 2.61 -4.23 -1.26 -4.36 115.64 108.83 2k1x s THR 45 Ca 0.00 -0.46 0.06 0.00 -1.18 0.00 0.00 61.69 60.11 2k1x s THR 45 Cb 0.00 -0.64 -0.07 0.00 1.34 0.00 0.00 72.50 73.13 2k1x s THR 45 CO 0.00 -0.25 0.02 0.26 -0.54 0.00 0.00 174.62 174.11 2k1x s TRP 46 N -1.36 2.28 -0.11 3.99 0.51 -1.17 -4.36 118.94 118.72 2k1x s TRP 46 Ca -0.13 -0.78 0.03 0.00 -2.12 0.00 0.00 56.10 53.10 2k1x s TRP 46 Cb -0.05 -1.55 0.01 0.00 -0.81 0.00 0.00 33.47 31.07 2k1x s TRP 46 CO 0.04 0.28 -0.21 1.03 -0.51 0.00 0.00 176.95 177.58 2k1x s ARG 47 N -3.78 2.81 -0.14 4.98 3.00 -1.20 -1.97 118.95 122.65 2k1x s ARG 47 Ca 0.35 -0.79 -0.00 0.00 0.00 0.00 0.00 55.73 55.29 2k1x s ARG 47 Cb 0.09 -2.19 -0.01 0.00 0.00 0.00 0.00 34.95 32.84 2k1x s ARG 47 CO 0.17 0.10 -0.13 -0.06 0.00 0.00 0.00 175.30 175.38 2k1x s PHE 48 N 0.54 2.82 -0.03 -0.53 0.08 0.20 -2.77 117.98 118.28 2k1x s PHE 48 Ca -0.15 -0.73 -0.01 0.00 0.12 0.00 0.00 56.93 56.16 2k1x s PHE 48 Cb -0.17 -1.87 0.03 0.00 -0.57 0.00 0.00 43.02 40.44 2k1x s PHE 48 CO 0.05 -0.28 0.05 1.52 -0.10 0.00 0.00 175.22 176.46 2k1x s TYR 49 N 0.50 0.03 -0.83 0.36 -0.85 -0.90 -1.20 117.35 114.46 2k1x s TYR 49 Ca -0.09 0.20 -0.12 0.00 -0.52 0.00 0.00 57.07 56.53 2k1x s TYR 49 Cb -0.16 -0.31 0.22 0.00 0.38 0.00 0.00 41.96 42.09 2k1x s TYR 49 CO 0.04 -0.13 0.76 -2.00 -1.52 0.00 0.00 175.55 172.70 2k1x s GLU 50 N 1.47 3.54 0.00 -3.49 -6.30 -1.26 -1.71 118.70 110.95 2k1x s GLU 50 Ca -0.04 -2.54 0.00 0.00 -2.50 0.00 0.00 54.97 49.89 2k1x s GLU 50 Cb -0.13 -4.36 0.00 0.00 0.00 0.00 0.00 34.13 29.65 2k1x s GLU 50 CO -0.03 -1.27 0.00 0.66 0.02 0.00 0.00 175.26 174.63 2k1x n TYR 51 N 3.80 0.00 -0.59 5.30 4.01 0.85 -4.38 117.16 126.14 2k1x n TYR 51 Ca 0.14 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.61 2k1x n TYR 51 Cb 0.45 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.66 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 3.75 0.00 -1.24 -0.72 -6.64 -1.26 -4.20 119.36 109.05 2k1x n ILE 52 Ca 0.00 -0.20 -0.20 0.00 -1.77 0.00 0.00 62.75 60.59 2k1x n ILE 52 Cb 0.00 -0.60 -0.11 0.00 -1.44 0.00 0.00 39.64 37.49 2k1x n ILE 52 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2k1x n ASN 53 N -1.90 5.88 0.00 7.28 3.02 -1.26 -3.70 115.26 124.58 2k1x n ASN 53 Ca 0.03 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.73 2k1x n ASN 53 Cb 0.54 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 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 1.64 0.00 -1.55 3.10 0.18 -1.26 -5.16 117.16 114.11 2k1x n TYR 54 Ca 0.45 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.23 2k1x n TYR 54 Cb 0.73 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.69 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 -0.56 0.54 -7.48 0.00 -1.24 -5.18 105.19 91.27 2k1x n GLY 55 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.25 3.60 -0.02 0.00 -1.26 -4.60 105.19 99.66 2k1x n GLY 56 Ca 0.00 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.71 3.63 -0.46 1.61 1.04 -1.26 -4.88 118.95 117.92 2k1x s ARG 57 Ca 0.00 0.97 -0.29 0.00 -1.04 0.00 0.00 55.73 55.37 2k1x s ARG 57 Cb 0.00 -4.00 0.02 0.00 -2.04 0.00 0.00 34.95 28.93 2k1x s ARG 57 CO 0.00 -1.50 1.25 -0.47 -0.04 0.00 0.00 175.30 174.55 2k1x s TYR 58 N 5.24 2.63 -0.22 5.89 5.04 -1.26 -3.95 117.35 130.72 2k1x s TYR 58 Ca 0.60 0.68 -0.04 0.00 -2.44 0.00 0.00 57.07 55.87 2k1x s TYR 58 Cb -0.14 -4.40 0.07 0.00 0.35 0.00 0.00 41.96 37.85 2k1x s TYR 58 CO 0.31 -1.57 0.09 -0.46 -1.34 0.00 0.00 175.55 172.58 2k1x s TRP 59 N 4.90 0.51 0.23 4.97 -0.00 -0.34 -4.99 118.94 124.23 2k1x s TRP 59 Ca 0.53 -0.70 -0.03 0.00 -0.00 0.00 0.00 56.10 55.90 2k1x s TRP 59 Cb -0.10 -0.90 -0.05 0.00 -0.00 0.00 0.00 33.47 32.43 2k1x s TRP 59 CO 0.32 -0.65 0.46 0.16 -0.00 0.00 0.00 176.95 177.23 2k1x s ASP 60 N 2.03 6.43 -0.07 5.86 1.47 -1.26 -0.63 116.67 130.51 2k1x s ASP 60 Ca 0.04 0.57 0.04 0.00 1.18 0.00 0.00 52.55 54.39 2k1x s ASP 60 Cb -0.16 -2.08 -0.02 0.00 -0.34 0.00 0.00 42.92 40.32 2k1x s ASP 60 CO -0.18 -0.09 -0.20 -1.48 0.68 0.00 0.00 175.17 173.90 2k1x s LEU 61 N -3.30 2.39 0.00 2.11 2.34 -0.83 -4.95 118.68 116.44 2k1x s LEU 61 Ca 0.41 -0.38 0.00 0.00 0.06 0.00 0.00 54.13 54.23 2k1x s LEU 61 Cb -0.11 -1.47 0.00 0.00 -0.56 0.00 0.00 46.19 44.05 2k1x s LEU 61 CO 0.28 0.27 0.00 0.61 -1.06 0.00 0.00 176.35 176.45 2k1x n GLY 62 N 2.82 2.61 3.58 -3.48 0.00 -1.26 -3.05 105.19 106.42 2k1x n GLY 62 Ca -0.17 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.38 2k1x n GLY 62 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k1x s PRO 63 N 1.45 2.65 0.00 1.61 0.04 -1.26 -4.81 135.00 134.68 2k1x s PRO 63 Ca 0.00 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2k1x s PRO 63 Cb 0.00 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2k1x s PRO 63 CO 0.00 -2.66 0.00 0.41 0.04 0.00 0.00 177.00 174.79 2k1x n GLY 64 N 5.88 3.73 3.78 0.56 0.00 -0.71 -5.02 105.19 113.41 2k1x n GLY 64 Ca 0.33 -0.75 -0.37 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 -2.37 4.54 0.20 1.61 -6.30 -1.26 -3.44 118.70 111.68 2k1x s GLU 65 Ca 0.00 1.31 0.09 0.00 -2.50 0.00 0.00 54.97 53.87 2k1x s GLU 65 Cb 0.00 -2.73 -0.04 0.00 0.00 0.00 0.00 34.13 31.35 2k1x s GLU 65 CO 0.00 0.24 -0.18 -0.47 0.02 0.00 0.00 175.26 174.87 2k1x s TYR 66 N -1.67 1.89 -0.48 5.30 5.04 0.74 -4.97 117.35 123.19 2k1x s TYR 66 Ca 0.52 -0.47 0.06 0.00 -2.44 0.00 0.00 57.07 54.74 2k1x s TYR 66 Cb -0.18 -0.90 0.25 0.00 0.35 0.00 0.00 41.96 41.48 2k1x s TYR 66 CO 0.23 0.41 0.93 0.45 -1.34 0.00 0.00 175.55 176.23 2k1x n SER 67 N -0.05 -2.81 -4.83 4.32 2.88 -1.26 -1.34 113.62 110.53 2k1x n SER 67 Ca -0.10 -3.37 -0.35 0.00 -1.33 0.00 0.00 58.87 53.72 2k1x n SER 67 Cb 0.58 1.85 -0.06 0.00 -0.75 0.00 0.00 64.21 65.84 2k1x n SER 67 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k1x s SER 68 N -1.62 6.93 0.00 -3.46 0.01 -1.20 -4.93 113.70 109.43 2k1x s SER 68 Ca 0.30 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.91 2k1x s SER 68 Cb 0.24 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2k1x s SER 68 CO -0.22 -0.06 0.68 1.33 0.41 0.00 0.00 173.24 175.38 2k1x n VAL 69 N 0.30 0.00 -1.94 3.43 0.24 -1.26 -3.50 118.33 115.60 2k1x n VAL 69 Ca -0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2k1x n VAL 69 Cb 0.52 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 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 0.03 0.00 7.34 0.28 -1.26 -4.91 120.64 122.12 2k1x n GLU 70 Ca 0.00 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 2k1x n GLU 70 Cb 0.58 0.30 0.00 0.00 1.43 0.00 0.00 31.44 33.75 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 -0.03 0.00 -0.26 -1.84 2.88 -1.26 -4.95 113.62 108.16 2k1x n SER 71 Ca -0.01 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.58 2k1x n SER 71 Cb 0.37 0.03 0.19 0.00 -0.75 0.00 0.00 64.21 64.06 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 1.09 0.00 -1.46 0.00 -1.95 -3.43 119.26 113.51 2k1x h ALA 72 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k1x h ALA 72 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k1x h ALA 72 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.45 2k1x n GLY 73 N -1.33 -0.66 2.39 0.00 0.00 -1.26 -4.93 105.19 99.41 2k1x n GLY 73 Ca 0.15 0.76 -0.25 0.00 0.00 0.00 0.00 46.02 46.68 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 -0.05 -0.61 2.08 -1.26 -4.87 119.36 115.75 2k1x n ILE 74 Ca 0.00 -4.78 -0.00 0.00 0.56 0.00 0.00 62.75 58.52 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 -1.87 -3.49 132.00 130.92 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 -4.55 0.00 -2.77 1.44 -0.08 -1.26 -4.95 116.55 104.37 2k1x n ASP 76 Ca -0.01 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.12 2k1x n ASP 76 Cb 0.02 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.42 2k1x n ASP 76 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2k1x n ASN 77 N 0.00 -0.64 0.00 1.67 3.02 -1.26 -0.05 115.26 117.99 2k1x n ASN 77 Ca 0.00 -2.73 0.00 0.00 -0.03 0.00 0.00 54.58 51.82 2k1x n ASN 77 Cb 0.00 1.44 0.00 0.00 -0.61 0.00 0.00 39.78 40.61 2k1x n ASN 77 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2k1x n SER 78 N -1.91 0.00 -3.88 6.41 2.88 -1.26 -4.41 113.62 111.45 2k1x n SER 78 Ca 0.05 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.30 2k1x n SER 78 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2k1x n SER 78 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2k1x n ILE 79 N 0.00 -3.94 -3.69 2.46 -0.00 -1.26 -4.81 119.36 108.11 2k1x n ILE 79 Ca 0.00 -0.67 -0.10 0.00 -0.00 0.00 0.00 62.75 61.98 2k1x n ILE 79 Cb 0.00 -3.16 -0.04 0.00 -0.00 0.00 0.00 39.64 36.44 2k1x n ILE 79 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2k1x s SER 80 N -3.99 -0.26 0.02 4.38 1.04 -1.26 -0.11 113.70 113.52 2k1x s SER 80 Ca 0.21 -0.42 -0.28 0.00 0.48 0.00 0.00 55.95 55.94 2k1x s SER 80 Cb -0.08 0.54 0.10 0.00 0.10 0.00 0.00 66.02 66.68 2k1x s SER 80 CO 0.89 -0.98 0.84 -0.55 0.98 0.00 0.00 173.24 174.42 2k1x s SER 81 N -2.85 -0.40 -0.14 7.02 0.15 -0.69 -4.77 113.70 112.01 2k1x s SER 81 Ca 0.07 0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.62 2k1x s SER 81 Cb 0.00 0.42 0.04 0.00 -1.71 0.00 0.00 66.02 64.78 2k1x s SER 81 CO -0.06 -0.68 0.36 0.72 1.20 0.00 0.00 173.24 174.79 2k1x s PHE 82 N -3.19 -0.46 -0.09 3.44 -0.71 -1.26 -2.11 117.98 113.60 2k1x s PHE 82 Ca 0.04 1.05 -0.16 0.00 -1.04 0.00 0.00 56.93 56.82 2k1x s PHE 82 Cb -0.01 0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.92 2k1x s PHE 82 CO -0.09 -0.24 0.42 1.03 -1.34 0.00 0.00 175.22 174.99 2k1x s ARG 83 N 0.69 4.18 -0.16 1.99 1.81 -1.11 -4.93 118.95 121.42 2k1x s ARG 83 Ca -0.04 0.36 -0.05 0.00 -1.72 0.00 0.00 55.73 54.28 2k1x s ARG 83 Cb -0.05 -3.36 -0.04 0.00 -0.45 0.00 0.00 34.95 31.05 2k1x s ARG 83 CO -0.05 0.35 0.02 -0.65 -0.68 0.00 0.00 175.30 174.30 2k1x s GLN 84 N 0.02 3.74 0.00 3.54 -0.21 -1.26 -3.28 119.66 122.21 2k1x s GLN 84 Ca 0.23 -0.41 0.00 0.00 0.02 0.00 0.00 55.36 55.21 2k1x s GLN 84 Cb -0.15 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 30.80 2k1x s GLN 84 CO 0.10 0.33 0.17 0.44 -2.12 0.00 0.00 175.29 174.21