#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 7.56 -0.41 6.12 0.02 -1.26 -5.02 114.94 121.95 2k1x s ASN 2 Ca 0.00 1.85 0.05 0.00 -1.02 0.00 0.00 52.86 53.73 2k1x s ASN 2 Cb 0.00 -2.58 0.18 0.00 0.02 0.00 0.00 41.25 38.88 2k1x s ASN 2 CO 0.00 0.13 0.73 0.00 0.02 0.00 0.00 177.10 177.98 2k1x s ALA 3 N -0.96 -2.75 0.71 0.60 0.00 -1.26 -5.15 121.76 112.95 2k1x s ALA 3 Ca 0.41 0.32 -0.07 0.00 0.00 0.00 0.00 51.96 52.61 2k1x s ALA 3 Cb -0.25 -2.79 0.06 0.00 0.00 0.00 0.00 23.12 20.14 2k1x s ALA 3 CO 0.30 -2.28 1.03 0.00 0.00 0.00 0.00 175.76 174.82 2k1x s ALA 4 N 1.70 3.09 -0.45 0.00 0.00 -1.26 -5.03 121.76 119.82 2k1x s ALA 4 Ca 0.18 -0.86 -0.21 0.00 0.00 0.00 0.00 51.96 51.07 2k1x s ALA 4 Cb -0.02 -2.66 0.03 0.00 0.00 0.00 0.00 23.12 20.47 2k1x s ALA 4 CO -0.08 -1.32 0.68 -1.83 0.00 0.00 0.00 175.76 173.21 2k1x s GLU 5 N -5.28 3.30 -0.07 0.00 1.03 -1.26 -4.97 118.70 111.45 2k1x s GLU 5 Ca 0.60 -0.34 0.04 0.00 0.03 0.00 0.00 54.97 55.29 2k1x s GLU 5 Cb -0.11 -3.96 -0.02 0.00 -0.80 0.00 0.00 34.13 29.25 2k1x s GLU 5 CO 0.45 -1.05 -0.17 0.08 -1.33 0.00 0.00 175.26 173.24 2k1x s VAL 6 N 2.93 2.76 -0.20 1.83 1.01 -1.26 -4.49 120.40 122.97 2k1x s VAL 6 Ca 0.24 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 2k1x s VAL 6 Cb -0.14 -2.08 0.06 0.00 0.00 0.00 0.00 36.38 34.22 2k1x s VAL 6 CO 0.19 0.57 -0.00 -0.51 0.00 0.00 0.00 175.10 175.35 2k1x s ILE 7 N -0.32 0.88 0.02 2.22 2.07 -1.23 -4.66 121.20 120.19 2k1x s ILE 7 Ca 0.02 -0.76 0.06 0.00 -1.41 0.00 0.00 60.65 58.56 2k1x s ILE 7 Cb -0.13 -1.28 -0.02 0.00 0.13 0.00 0.00 42.46 41.16 2k1x s ILE 7 CO 0.02 -0.14 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.05 2k1x s VAL 8 N 1.70 1.38 -0.06 4.00 1.01 -1.24 -2.59 120.40 124.59 2k1x s VAL 8 Ca -0.02 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 2k1x s VAL 8 Cb -0.17 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 2k1x s VAL 8 CO -0.07 0.22 0.26 -0.31 0.00 0.00 0.00 175.10 175.20 2k1x s TYR 9 N -0.65 3.65 -0.55 5.22 1.51 -0.89 -2.16 117.35 123.48 2k1x s TYR 9 Ca 0.05 0.72 0.01 0.00 -1.01 0.00 0.00 57.07 56.84 2k1x s TYR 9 Cb -0.08 -2.08 0.53 0.00 -0.11 0.00 0.00 41.96 40.22 2k1x s TYR 9 CO 0.01 0.69 1.97 -1.91 -1.11 0.00 0.00 175.55 175.20 2k1x n GLU 10 N 1.85 2.44 -3.24 -0.62 2.13 0.10 -3.85 120.64 119.45 2k1x n GLU 10 Ca -0.17 -3.05 0.00 0.00 0.66 0.00 0.00 57.16 54.60 2k1x n GLU 10 Cb 0.54 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 30.05 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 -0.94 0.00 -0.94 4.31 8.25 -1.25 -4.53 115.22 120.11 2k1x n HIS 11 Ca 0.59 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.74 2k1x n HIS 11 Cb 1.09 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 2.49 -0.75 1.59 1.01 -1.25 -2.96 120.40 117.52 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 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2k1x s VAL 12 CO 0.00 -0.20 2.95 -0.46 0.00 0.00 0.00 175.10 177.38 2k1x n ASN 13 N -3.88 6.94 -0.49 3.32 0.23 -1.26 -3.51 115.26 116.61 2k1x n ASN 13 Ca 0.11 -2.88 -0.01 0.00 -0.53 0.00 0.00 54.58 51.27 2k1x n ASN 13 Cb 0.52 -1.37 -0.01 0.00 -2.08 0.00 0.00 39.78 36.84 2k1x n ASN 13 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 2k1x n PHE 14 N 2.00 0.00 0.00 -2.53 -1.74 -1.26 -5.02 117.46 108.91 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 0.52 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 -0.04 3.28 4.97 0.00 -1.23 -5.18 105.19 106.99 2k1x n GLY 15 Ca -0.03 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 1.42 -0.21 -0.02 0.00 -1.23 -4.68 107.32 102.60 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 -1.28 0.27 1.25 0.00 0.00 0.00 173.10 173.35 2k1x s LYS 17 N -4.00 4.14 0.22 2.90 2.36 -1.26 -4.92 119.74 119.19 2k1x s LYS 17 Ca 0.36 -0.03 0.11 0.00 -2.55 0.00 0.00 55.97 53.86 2k1x s LYS 17 Cb 0.05 -3.52 -0.05 0.00 -1.05 0.00 0.00 37.83 33.27 2k1x s LYS 17 CO 0.14 0.06 -0.18 -1.54 1.55 0.00 0.00 175.35 175.38 2k1x s SER 18 N 0.94 3.74 -0.35 1.43 1.04 -1.26 0.00 113.70 119.24 2k1x s SER 18 Ca 0.13 -0.84 -0.05 0.00 0.48 0.00 0.00 55.95 55.67 2k1x s SER 18 Cb -0.14 -0.41 0.06 0.00 0.10 0.00 0.00 66.02 65.63 2k1x s SER 18 CO 0.05 0.08 0.11 -0.36 0.98 0.00 0.00 173.24 174.11 2k1x s PHE 19 N -1.99 3.31 -0.34 5.02 0.08 -0.92 -4.96 117.98 118.19 2k1x s PHE 19 Ca 0.25 -1.69 0.06 0.00 0.12 0.00 0.00 56.93 55.67 2k1x s PHE 19 Cb -0.07 -2.45 0.46 0.00 -0.57 0.00 0.00 43.02 40.39 2k1x s PHE 19 CO 0.13 -0.80 1.28 -3.47 -0.10 0.00 0.00 175.22 172.27 2k1x n ASP 20 N 4.75 5.24 -3.72 1.36 2.03 -1.26 -3.71 116.55 121.23 2k1x n ASP 20 Ca -0.11 -3.75 -0.12 0.00 0.52 0.00 0.00 54.79 51.33 2k1x n ASP 20 Cb 0.44 -0.42 -0.13 0.00 -0.72 0.00 0.00 41.12 40.29 2k1x n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k1x s ALA 21 N -3.63 -0.61 -0.22 -1.67 0.00 -1.26 -5.09 121.76 109.28 2k1x s ALA 21 Ca 0.52 1.05 -0.28 0.00 0.00 0.00 0.00 51.96 53.26 2k1x s ALA 21 Cb 0.42 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2k1x s ALA 21 CO 0.02 -0.20 0.97 -0.08 0.00 0.00 0.00 175.76 176.47 2k1x s THR 22 N 1.27 4.74 0.00 0.00 -1.32 -1.26 -4.80 115.64 114.27 2k1x s THR 22 Ca -0.09 1.88 0.00 0.00 -1.21 0.00 0.00 61.69 62.27 2k1x s THR 22 Cb -0.10 -4.25 0.00 0.00 -1.51 0.00 0.00 72.50 66.64 2k1x s THR 22 CO -0.09 -0.12 0.00 -1.20 -2.21 0.00 0.00 174.62 171.00 2k1x n SER 23 N 6.07 0.00 -2.68 8.08 7.64 -1.26 -5.10 113.62 126.37 2k1x n SER 23 Ca 0.10 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.93 2k1x n SER 23 Cb 0.47 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.75 -1.57 -4.89 6.43 2.03 -1.26 -5.17 116.55 111.37 2k1x n ASP 24 Ca 0.00 -1.76 -0.29 0.00 0.52 0.00 0.00 54.79 53.27 2k1x n ASP 24 Cb 0.00 0.86 0.02 0.00 -0.72 0.00 0.00 41.12 41.28 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 0.41 3.19 0.29 -0.67 1.11 -1.26 -4.97 119.66 117.76 2k1x s GLN 25 Ca 0.26 0.35 0.26 0.00 0.01 0.00 0.00 55.36 56.24 2k1x s GLN 25 Cb 0.18 -2.17 0.92 0.00 -1.01 0.00 0.00 33.01 30.93 2k1x s GLN 25 CO -0.10 -0.67 1.76 -1.00 0.01 0.00 0.00 175.29 175.29 2k1x h PRO 26 N -0.27 0.00 0.00 2.91 0.13 -2.04 -3.47 132.00 129.26 2k1x h PRO 26 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k1x h PRO 26 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k1x h PRO 26 CO 0.62 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 2k1x n GLY 27 N 0.53 1.96 1.57 1.56 0.00 -1.26 -4.77 105.19 104.78 2k1x n GLY 27 Ca 0.03 0.19 -0.07 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 0.26 -0.10 0.00 4.61 0.00 -1.26 -4.99 120.51 119.03 2k1x n ALA 28 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2k1x n ALA 28 Cb 0.00 0.63 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.27 1.33 2.41 0.00 0.00 -1.26 -5.04 105.19 102.36 2k1x n GLY 29 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 2k1x n GLY 29 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k1x n ASP 30 N 0.00 -0.96 -3.08 1.61 2.03 -1.26 -5.09 116.55 109.80 2k1x n ASP 30 Ca 0.00 -3.00 -0.17 0.00 0.52 0.00 0.00 54.79 52.14 2k1x n ASP 30 Cb 0.00 0.37 -0.05 0.00 -0.72 0.00 0.00 41.12 40.72 2k1x n ASP 30 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2k1x n ASN 31 N 1.29 1.26 -0.97 1.67 0.23 -1.26 -5.12 115.26 112.36 2k1x n ASN 31 Ca 0.16 -2.41 0.00 0.00 -0.53 0.00 0.00 54.58 51.80 2k1x n ASN 31 Cb 0.59 0.64 0.00 0.00 -2.08 0.00 0.00 39.78 38.93 2k1x n ASN 31 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2k1x n LEU 32 N 0.00 0.00 0.17 -4.53 7.94 -1.26 -4.97 117.00 114.35 2k1x n LEU 32 Ca -0.04 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.88 2k1x n LEU 32 Cb 0.40 0.00 0.29 0.00 0.53 0.00 0.00 43.42 44.64 2k1x n LEU 32 CO 0.21 0.00 0.63 -0.55 -1.11 0.00 0.00 177.39 176.57 2k1x h ASN 33 N 0.00 0.00 -0.91 1.96 7.08 -1.84 -3.05 115.58 118.83 2k1x h ASN 33 Ca 0.00 0.00 -0.61 0.00 -3.08 0.00 0.00 56.30 52.61 2k1x h ASN 33 Cb 0.00 0.00 -0.26 0.00 -2.08 0.00 0.00 38.32 35.98 2k1x h ASN 33 CO 0.00 0.45 0.79 -0.67 -2.08 0.00 0.00 177.43 175.93 2k1x n ASP 34 N -3.73 7.39 -4.62 6.14 -0.08 -1.26 -4.72 116.55 115.67 2k1x n ASP 34 Ca -0.01 -3.66 -0.34 0.00 -1.51 0.00 0.00 54.79 49.27 2k1x n ASP 34 Cb 0.52 -0.99 -0.10 0.00 2.34 0.00 0.00 41.12 42.89 2k1x n ASP 34 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 2k1x s LYS 35 N -3.47 3.51 -0.22 -0.67 0.00 -1.15 -5.09 119.74 112.64 2k1x s LYS 35 Ca 0.59 -0.41 -0.12 0.00 0.00 0.00 0.00 55.97 56.03 2k1x s LYS 35 Cb 0.46 -2.97 0.07 0.00 0.00 0.00 0.00 37.83 35.40 2k1x s LYS 35 CO -0.01 0.44 0.53 0.96 0.00 0.00 0.00 175.35 177.28 2k1x s ILE 36 N -0.15 -0.10 0.00 3.79 -4.36 -1.26 -4.92 121.20 114.21 2k1x s ILE 36 Ca 0.05 0.06 0.00 0.00 -0.26 0.00 0.00 60.65 60.50 2k1x s ILE 36 Cb -0.12 -0.78 0.00 0.00 1.25 0.00 0.00 42.46 42.80 2k1x s ILE 36 CO 0.02 0.02 0.00 -1.54 0.24 0.00 0.00 174.94 173.68 2k1x n SER 37 N 4.41 0.00 -4.31 4.36 3.41 -1.25 -3.95 113.62 116.29 2k1x n SER 37 Ca -0.21 -0.82 -0.23 0.00 -0.26 0.00 0.00 58.87 57.36 2k1x n SER 37 Cb 0.56 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.46 2.60 -0.08 4.04 0.01 -1.16 -3.53 113.70 115.14 2k1x s SER 38 Ca 0.00 -0.78 0.05 0.00 1.31 0.00 0.00 55.95 56.53 2k1x s SER 38 Cb 0.00 -0.15 -0.00 0.00 0.21 0.00 0.00 66.02 66.08 2k1x s SER 38 CO 0.00 0.01 -0.23 -0.63 0.41 0.00 0.00 173.24 172.79 2k1x s ILE 39 N -1.63 1.96 -0.05 1.44 1.09 0.46 -2.10 121.20 122.37 2k1x s ILE 39 Ca 0.11 -0.99 0.02 0.00 -1.10 0.00 0.00 60.65 58.70 2k1x s ILE 39 Cb -0.08 -1.68 0.01 0.00 -1.06 0.00 0.00 42.46 39.65 2k1x s ILE 39 CO 0.05 0.54 -0.10 -0.75 -0.10 0.00 0.00 174.94 174.58 2k1x s LYS 40 N 0.12 1.33 -0.01 2.79 2.20 -1.07 -1.76 119.74 123.35 2k1x s LYS 40 Ca -0.11 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 2k1x s LYS 40 Cb -0.16 -1.16 -0.00 0.00 -1.51 0.00 0.00 37.83 35.00 2k1x s LYS 40 CO 0.06 0.05 -0.04 0.54 -0.36 0.00 0.00 175.35 175.59 2k1x s VAL 41 N 0.53 0.36 -0.31 4.02 0.11 -1.22 -3.53 120.40 120.36 2k1x s VAL 41 Ca -0.10 -0.18 0.18 0.00 -2.93 0.00 0.00 61.98 58.95 2k1x s VAL 41 Cb -0.13 -0.32 0.47 0.00 -1.53 0.00 0.00 36.38 34.87 2k1x s VAL 41 CO 0.02 0.11 1.09 0.29 -3.33 0.00 0.00 175.10 173.28 2k1x n LYS 42 N 3.05 1.36 -3.38 1.54 4.76 -1.26 -3.61 118.16 120.62 2k1x n LYS 42 Ca -0.14 -3.03 0.03 0.00 -2.87 0.00 0.00 58.31 52.30 2k1x n LYS 42 Cb 0.58 -1.11 -0.05 0.00 -1.84 0.00 0.00 35.03 32.61 2k1x n LYS 42 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2k1x s SER 43 N -2.99 -0.03 0.60 4.39 0.01 -1.26 -4.94 113.70 109.47 2k1x s SER 43 Ca 0.25 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.55 2k1x s SER 43 Cb 0.41 1.03 0.00 0.00 0.21 0.00 0.00 66.02 67.66 2k1x s SER 43 CO -0.01 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2k1x n GLY 44 N 3.87 0.96 3.17 3.44 0.00 -1.26 -4.83 105.19 110.54 2k1x n GLY 44 Ca -0.11 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 0.03 0.45 2.61 -4.23 -1.26 -4.65 115.64 108.60 2k1x s THR 45 Ca 0.00 -0.27 0.06 0.00 -1.18 0.00 0.00 61.69 60.30 2k1x s THR 45 Cb 0.00 -0.46 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 2k1x s THR 45 CO 0.00 -0.15 0.14 0.26 -0.54 0.00 0.00 174.62 174.33 2k1x s TRP 46 N -0.57 2.29 -0.18 3.99 0.51 -1.21 -4.46 118.94 119.31 2k1x s TRP 46 Ca -0.07 -0.72 0.01 0.00 -2.12 0.00 0.00 56.10 53.20 2k1x s TRP 46 Cb -0.04 -1.84 0.02 0.00 -0.81 0.00 0.00 33.47 30.79 2k1x s TRP 46 CO 0.02 0.15 -0.19 1.03 -0.51 0.00 0.00 176.95 177.45 2k1x s ARG 47 N -3.91 3.04 -0.19 4.98 3.00 -1.20 -2.03 118.95 122.64 2k1x s ARG 47 Ca 0.31 -0.81 -0.04 0.00 0.00 0.00 0.00 55.73 55.19 2k1x s ARG 47 Cb 0.04 -2.60 -0.02 0.00 0.00 0.00 0.00 34.95 32.37 2k1x s ARG 47 CO 0.17 -0.18 -0.03 -0.06 0.00 0.00 0.00 175.30 175.21 2k1x s PHE 48 N 1.24 3.00 0.01 -0.53 0.08 0.74 -2.74 117.98 119.78 2k1x s PHE 48 Ca 0.03 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.58 2k1x s PHE 48 Cb -0.13 -2.04 -0.01 0.00 -0.57 0.00 0.00 43.02 40.27 2k1x s PHE 48 CO -0.10 -0.23 -0.01 1.52 -0.10 0.00 0.00 175.22 176.29 2k1x s TYR 49 N 0.86 0.12 -0.74 0.36 -0.85 -0.86 -1.13 117.35 115.10 2k1x s TYR 49 Ca -0.00 -0.21 -0.06 0.00 -0.52 0.00 0.00 57.07 56.27 2k1x s TYR 49 Cb -0.14 -0.09 0.19 0.00 0.38 0.00 0.00 41.96 42.30 2k1x s TYR 49 CO 0.02 -0.07 0.61 -1.83 -1.52 0.00 0.00 175.55 172.76 2k1x s GLU 50 N -0.58 3.05 0.00 -3.49 -1.05 -1.26 -1.37 118.70 114.01 2k1x s GLU 50 Ca -0.06 -2.65 0.00 0.00 -0.15 0.00 0.00 54.97 52.11 2k1x s GLU 50 Cb -0.04 -4.01 0.00 0.00 -0.44 0.00 0.00 34.13 29.64 2k1x s GLU 50 CO -0.00 -1.22 0.00 0.66 0.95 0.00 0.00 175.26 175.64 2k1x n TYR 51 N 3.43 0.00 -1.82 4.83 4.01 1.00 -4.37 117.16 124.24 2k1x n TYR 51 Ca 0.12 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.57 2k1x n TYR 51 Cb 0.41 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.55 2k1x n TYR 51 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2k1x s ILE 52 N -3.00 1.99 -0.94 -0.72 -1.09 -1.26 -4.14 121.20 112.04 2k1x s ILE 52 Ca 0.00 0.00 -0.07 0.00 -2.23 0.00 0.00 60.65 58.35 2k1x s ILE 52 Cb 0.00 -2.94 -0.09 0.00 -1.58 0.00 0.00 42.46 37.85 2k1x s ILE 52 CO 0.00 0.00 2.52 -3.20 -1.23 0.00 0.00 174.94 173.03 2k1x n ASN 53 N -3.51 5.88 0.00 3.58 2.85 -1.26 -2.97 115.26 119.83 2k1x n ASN 53 Ca 0.09 -2.37 0.00 0.00 -0.11 0.00 0.00 54.58 52.19 2k1x n ASN 53 Cb 0.60 -1.23 0.00 0.00 1.24 0.00 0.00 39.78 40.40 2k1x n ASN 53 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k1x n TYR 54 N 3.67 0.00 -0.20 1.20 4.11 -1.26 -5.16 117.16 119.52 2k1x n TYR 54 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.42 2k1x n TYR 54 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.62 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 -0.10 3.79 0.00 -7.48 0.00 -1.16 -5.18 105.19 95.06 2k1x n GLY 55 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.68 3.58 -0.02 0.00 -1.26 -4.51 105.19 100.29 2k1x n GLY 56 Ca 0.00 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.00 3.29 -0.52 1.61 3.00 -1.26 -4.90 118.95 119.17 2k1x s ARG 57 Ca 0.00 0.64 -0.28 0.00 -1.00 0.00 0.00 55.73 55.09 2k1x s ARG 57 Cb 0.00 -4.14 0.02 0.00 0.00 0.00 0.00 34.95 30.83 2k1x s ARG 57 CO 0.00 -1.94 1.36 -0.47 0.00 0.00 0.00 175.30 174.25 2k1x s TYR 58 N 6.32 2.40 -0.21 5.12 5.04 -1.26 -3.99 117.35 130.76 2k1x s TYR 58 Ca 0.58 0.54 -0.04 0.00 -2.44 0.00 0.00 57.07 55.71 2k1x s TYR 58 Cb -0.12 -4.39 0.07 0.00 0.35 0.00 0.00 41.96 37.87 2k1x s TYR 58 CO 0.27 -1.86 0.09 -0.46 -1.34 0.00 0.00 175.55 172.24 2k1x s TRP 59 N 5.62 0.50 0.08 4.97 -0.00 -0.29 -5.01 118.94 124.82 2k1x s TRP 59 Ca 0.53 -0.66 -0.17 0.00 -0.00 0.00 0.00 56.10 55.80 2k1x s TRP 59 Cb -0.11 -0.88 -0.07 0.00 -0.00 0.00 0.00 33.47 32.42 2k1x s TRP 59 CO 0.28 -0.63 0.53 0.16 -0.00 0.00 0.00 176.95 177.29 2k1x s ASP 60 N 2.03 6.95 0.13 5.86 -4.77 -1.26 -0.19 116.67 125.43 2k1x s ASP 60 Ca 0.04 1.16 0.01 0.00 -3.30 0.00 0.00 52.55 50.45 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 -0.16 0.24 0.29 -1.48 0.70 0.00 0.00 175.17 174.75 2k1x s LEU 61 N -1.34 4.32 0.00 2.11 2.34 -0.86 -4.92 118.68 120.33 2k1x s LEU 61 Ca 0.30 0.25 0.00 0.00 0.06 0.00 0.00 54.13 54.74 2k1x s LEU 61 Cb -0.18 -2.98 0.00 0.00 -0.56 0.00 0.00 46.19 42.47 2k1x s LEU 61 CO 0.18 0.07 0.00 0.61 -1.06 0.00 0.00 176.35 176.15 2k1x n GLY 62 N -0.33 4.43 3.50 -3.48 0.00 -1.26 -3.33 105.19 104.72 2k1x n GLY 62 Ca -0.06 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 0.38 0.00 1.61 -0.02 -1.26 -4.73 135.00 130.98 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 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 6.42 2.97 3.13 -1.23 0.00 -1.24 -5.07 105.19 110.17 2k1x n GLY 64 Ca 0.55 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.11 1.41 0.05 1.61 2.12 -1.26 -3.45 118.70 117.07 2k1x s GLU 65 Ca 0.00 -0.56 0.02 0.00 0.36 0.00 0.00 54.97 54.79 2k1x s GLU 65 Cb 0.00 -1.31 -0.03 0.00 0.26 0.00 0.00 34.13 33.05 2k1x s GLU 65 CO 0.00 0.30 -0.08 1.52 -0.54 0.00 0.00 175.26 176.47 2k1x s TYR 66 N -0.22 0.72 -0.49 5.30 1.13 -0.72 -4.98 117.35 118.08 2k1x s TYR 66 Ca 0.03 -0.58 0.04 0.00 -1.41 0.00 0.00 57.07 55.15 2k1x s TYR 66 Cb -0.08 -0.43 0.16 0.00 -1.10 0.00 0.00 41.96 40.52 2k1x s TYR 66 CO 0.00 -0.10 0.36 -1.54 -2.51 0.00 0.00 175.55 171.77 2k1x s SER 67 N -1.87 2.68 0.52 -0.18 1.04 -1.26 -0.40 113.70 114.24 2k1x s SER 67 Ca -0.06 -3.18 -0.06 0.00 0.48 0.00 0.00 55.95 53.13 2k1x s SER 67 Cb -0.07 -0.82 -0.03 0.00 0.10 0.00 0.00 66.02 65.20 2k1x s SER 67 CO -0.01 -0.17 0.85 -0.44 0.98 0.00 0.00 173.24 174.45 2k1x s SER 68 N -0.25 6.12 0.00 7.02 0.01 -1.23 -4.95 113.70 120.42 2k1x s SER 68 Ca 0.28 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.50 2k1x s SER 68 Cb -0.03 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 64.03 2k1x s SER 68 CO -0.15 -0.72 0.69 1.33 0.41 0.00 0.00 173.24 174.80 2k1x n VAL 69 N -2.40 0.00 -2.66 3.43 0.24 -1.26 -3.87 118.33 111.81 2k1x n VAL 69 Ca 0.02 -0.02 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 2k1x n VAL 69 Cb 0.55 0.20 0.03 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 0.01 0.11 0.00 7.34 0.28 -1.26 -5.00 120.64 122.12 2k1x n GLU 70 Ca -0.01 -0.63 0.00 0.00 -0.16 0.00 0.00 57.16 56.36 2k1x n GLU 70 Cb 0.58 -0.04 0.00 0.00 1.43 0.00 0.00 31.44 33.42 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 -0.16 0.00 0.06 -1.84 7.64 -1.26 -5.02 113.62 113.05 2k1x n SER 71 Ca -0.21 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.57 2k1x n SER 71 Cb 0.68 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.82 2k1x n SER 71 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k1x h ALA 72 N 0.00 -0.81 0.00 -0.43 0.00 -1.94 -3.44 119.26 112.64 2k1x h ALA 72 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k1x h ALA 72 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k1x h ALA 72 CO 0.00 -0.88 0.00 0.41 0.00 0.00 0.00 179.25 178.78 2k1x n GLY 73 N -1.28 -1.99 2.23 0.00 0.00 -1.26 -4.97 105.19 97.92 2k1x n GLY 73 Ca -0.05 1.04 -0.21 0.00 0.00 0.00 0.00 46.02 46.80 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 -0.52 -0.07 -0.61 -0.00 -1.26 -4.69 119.36 112.21 2k1x n ILE 74 Ca 0.00 -3.94 -0.13 0.00 -0.00 0.00 0.00 62.75 58.68 2k1x n ILE 74 Cb 0.00 -1.29 -0.12 0.00 -0.00 0.00 0.00 39.64 38.23 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 3.75 0.00 0.00 6.28 0.13 -1.88 -3.46 132.00 136.81 2k1x h PRO 75 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2k1x h PRO 75 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2k1x h PRO 75 CO 0.45 0.92 0.00 -0.40 -0.23 0.00 0.00 178.00 178.74 2k1x n ASP 76 N -4.62 0.00 -2.65 1.44 5.68 -1.26 -5.00 116.55 110.14 2k1x n ASP 76 Ca -0.10 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.17 2k1x n ASP 76 Cb 0.45 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.48 2k1x n ASP 76 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2k1x n ASN 77 N -0.37 -1.04 -4.98 -1.12 0.23 -1.26 -4.19 115.26 102.54 2k1x n ASN 77 Ca 0.00 -1.55 -0.20 0.00 -0.53 0.00 0.00 54.58 52.30 2k1x n ASN 77 Cb 0.00 1.02 0.01 0.00 -2.08 0.00 0.00 39.78 38.72 2k1x n ASN 77 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2k1x s SER 78 N -0.04 5.78 0.14 0.53 0.15 -1.26 -5.03 113.70 113.98 2k1x s SER 78 Ca 0.11 -0.08 0.05 0.00 0.70 0.00 0.00 55.95 56.72 2k1x s SER 78 Cb 0.17 -1.15 -0.04 0.00 -1.71 0.00 0.00 66.02 63.28 2k1x s SER 78 CO -0.12 -0.66 0.11 -0.63 1.20 0.00 0.00 173.24 173.14 2k1x s ILE 79 N -2.38 4.42 0.06 6.45 1.01 -1.26 -4.65 121.20 124.84 2k1x s ILE 79 Ca 0.49 -1.03 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 2k1x s ILE 79 Cb -0.10 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.17 2k1x s ILE 79 CO 0.34 -0.04 0.30 -0.94 0.00 0.00 0.00 174.94 174.60 2k1x s SER 80 N -2.88 -0.11 0.11 3.58 1.04 -1.26 -0.00 113.70 114.18 2k1x s SER 80 Ca 0.30 -0.25 -0.25 0.00 0.48 0.00 0.00 55.95 56.23 2k1x s SER 80 Cb -0.11 0.37 0.07 0.00 0.10 0.00 0.00 66.02 66.45 2k1x s SER 80 CO 0.22 -0.65 0.63 -0.44 0.98 0.00 0.00 173.24 173.98 2k1x s SER 81 N -2.22 -0.58 -0.15 7.02 0.01 -0.47 -4.15 113.70 113.17 2k1x s SER 81 Ca -0.03 0.13 -0.11 0.00 1.31 0.00 0.00 55.95 57.25 2k1x s SER 81 Cb 0.00 0.58 0.05 0.00 0.21 0.00 0.00 66.02 66.85 2k1x s SER 81 CO -0.05 -0.89 0.38 0.72 0.41 0.00 0.00 173.24 173.81 2k1x s PHE 82 N -3.25 -0.47 -0.14 2.43 -0.71 -1.26 -2.02 117.98 112.55 2k1x s PHE 82 Ca -0.01 1.09 -0.15 0.00 -1.04 0.00 0.00 56.93 56.82 2k1x s PHE 82 Cb -0.01 0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.93 2k1x s PHE 82 CO -0.09 -0.25 0.34 1.03 -1.34 0.00 0.00 175.22 174.91 2k1x s ARG 83 N 0.74 4.24 -0.16 1.99 1.81 -1.11 -4.83 118.95 121.64 2k1x s ARG 83 Ca -0.04 0.19 -0.12 0.00 -1.72 0.00 0.00 55.73 54.03 2k1x s ARG 83 Cb -0.05 -3.41 -0.05 0.00 -0.45 0.00 0.00 34.95 30.99 2k1x s ARG 83 CO -0.05 0.25 0.25 -1.14 -0.68 0.00 0.00 175.30 173.93 2k1x s GLN 84 N 0.39 4.14 0.00 3.54 -0.44 -1.26 -3.22 119.66 122.82 2k1x s GLN 84 Ca 0.19 0.02 0.00 0.00 -2.50 0.00 0.00 55.36 53.07 2k1x s GLN 84 Cb -0.14 -3.39 0.00 0.00 -1.64 0.00 0.00 33.01 27.85 2k1x s GLN 84 CO 0.06 0.33 0.08 0.44 0.50 0.00 0.00 175.29 176.70