#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 -1.57 -0.49 7.83 0.01 -1.26 -5.12 114.94 114.34 2k1x s ASN 2 Ca 0.00 0.34 -0.26 0.00 -0.71 0.00 0.00 52.86 52.23 2k1x s ASN 2 Cb 0.00 2.06 0.03 0.00 0.41 0.00 0.00 41.25 43.75 2k1x s ASN 2 CO 0.00 -0.29 0.96 0.00 -1.51 0.00 0.00 177.10 176.26 2k1x s ALA 3 N 2.84 3.20 -0.30 0.60 0.00 -1.26 -4.71 121.76 122.13 2k1x s ALA 3 Ca 0.13 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.11 2k1x s ALA 3 Cb -0.11 -3.70 0.14 0.00 0.00 0.00 0.00 23.12 19.46 2k1x s ALA 3 CO -0.25 -2.17 0.77 0.00 0.00 0.00 0.00 175.76 174.11 2k1x s ALA 4 N 3.90 -2.28 -0.80 0.00 0.00 -1.26 -5.06 121.76 116.26 2k1x s ALA 4 Ca 0.37 2.24 -0.23 0.00 0.00 0.00 0.00 51.96 54.34 2k1x s ALA 4 Cb -0.10 -1.88 0.07 0.00 0.00 0.00 0.00 23.12 21.21 2k1x s ALA 4 CO 0.25 -0.94 1.15 -2.00 0.00 0.00 0.00 175.76 174.22 2k1x s GLU 5 N 2.74 3.32 -0.20 0.00 2.56 -1.26 -4.70 118.70 121.16 2k1x s GLU 5 Ca -0.05 -0.97 -0.00 0.00 0.00 0.00 0.00 54.97 53.95 2k1x s GLU 5 Cb -0.10 -4.57 0.02 0.00 2.00 0.00 0.00 34.13 31.48 2k1x s GLU 5 CO -0.18 -1.94 -0.14 0.08 -0.56 0.00 0.00 175.26 172.51 2k1x s VAL 6 N 4.26 2.45 -0.10 3.70 1.01 -1.26 -3.30 120.40 127.15 2k1x s VAL 6 Ca 0.31 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 2k1x s VAL 6 Cb -0.09 -2.11 0.04 0.00 0.00 0.00 0.00 36.38 34.22 2k1x s VAL 6 CO 0.03 0.43 0.03 -0.51 0.00 0.00 0.00 175.10 175.08 2k1x s ILE 7 N 1.32 0.26 0.13 2.22 1.10 -1.20 -3.70 121.20 121.34 2k1x s ILE 7 Ca 0.03 -0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.21 2k1x s ILE 7 Cb -0.14 -0.57 -0.04 0.00 0.15 0.00 0.00 42.46 41.85 2k1x s ILE 7 CO -0.09 0.08 -0.08 0.68 -2.11 0.00 0.00 174.94 173.41 2k1x s VAL 8 N 2.01 0.99 -0.03 4.00 -7.23 -1.22 -2.40 120.40 116.51 2k1x s VAL 8 Ca 0.03 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.22 2k1x s VAL 8 Cb -0.14 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 2k1x s VAL 8 CO -0.06 -0.77 -0.12 -0.31 -0.31 0.00 0.00 175.10 173.53 2k1x s TYR 9 N -3.44 2.76 -0.47 2.82 1.51 -1.14 -3.00 117.35 116.39 2k1x s TYR 9 Ca 0.16 -0.11 -0.00 0.00 -1.01 0.00 0.00 57.07 56.10 2k1x s TYR 9 Cb 0.04 -1.62 0.40 0.00 -0.11 0.00 0.00 41.96 40.66 2k1x s TYR 9 CO -0.01 0.25 1.93 -1.91 -1.11 0.00 0.00 175.55 174.71 2k1x n GLU 10 N 2.09 2.20 -3.22 -0.62 2.13 0.30 -3.85 120.64 119.67 2k1x n GLU 10 Ca -0.17 -2.48 0.00 0.00 0.66 0.00 0.00 57.16 55.17 2k1x n GLU 10 Cb 0.52 -1.97 0.00 0.00 0.27 0.00 0.00 31.44 30.26 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 -0.49 0.00 -0.88 4.31 8.25 -1.25 -4.54 115.22 120.61 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 0.86 0.00 0.14 0.00 1.12 0.00 0.00 29.99 32.11 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 2.48 -0.71 1.59 1.01 -1.26 -3.11 120.40 117.41 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 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2k1x s VAL 12 CO 0.00 -0.20 2.96 -3.20 0.00 0.00 0.00 175.10 174.66 2k1x n ASN 13 N -4.01 6.85 -0.50 3.32 5.15 -1.26 -3.19 115.26 121.62 2k1x n ASN 13 Ca 0.11 -2.89 -0.01 0.00 -0.60 0.00 0.00 54.58 51.19 2k1x n ASN 13 Cb 0.52 -1.37 -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 1.95 0.00 0.00 1.20 -1.74 -1.26 -5.00 117.46 112.61 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 41.80 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 3.45 4.97 0.00 -1.23 -5.18 105.19 107.20 2k1x n GLY 15 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 2.15 -0.06 -0.02 0.00 -1.19 -4.73 107.32 103.45 2k1x s GLY 16 Ca 0.00 -1.86 -0.22 0.00 0.00 0.00 0.00 44.72 42.64 2k1x s GLY 16 CO 0.00 -1.80 0.63 1.25 0.00 0.00 0.00 173.10 173.18 2k1x s LYS 17 N -3.88 4.39 0.05 2.90 2.20 -1.26 -4.91 119.74 119.24 2k1x s LYS 17 Ca 0.34 0.75 0.09 0.00 -0.36 0.00 0.00 55.97 56.79 2k1x s LYS 17 Cb 0.07 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 2k1x s LYS 17 CO 0.15 0.15 -0.23 -1.54 -0.36 0.00 0.00 175.35 173.51 2k1x s SER 18 N 0.55 3.42 -0.14 1.43 1.04 -1.26 -0.54 113.70 118.20 2k1x s SER 18 Ca 0.33 -0.55 -0.07 0.00 0.48 0.00 0.00 55.95 56.15 2k1x s SER 18 Cb -0.17 -0.40 0.05 0.00 0.10 0.00 0.00 66.02 65.60 2k1x s SER 18 CO 0.16 0.25 0.32 0.72 0.98 0.00 0.00 173.24 175.67 2k1x s PHE 19 N -0.88 -0.47 -0.69 5.02 -0.71 -1.16 -5.04 117.98 114.06 2k1x s PHE 19 Ca 0.13 1.03 0.05 0.00 -1.04 0.00 0.00 56.93 57.10 2k1x s PHE 19 Cb -0.10 0.14 0.25 0.00 -1.21 0.00 0.00 43.02 42.09 2k1x s PHE 19 CO 0.04 -0.30 0.79 -0.40 -1.34 0.00 0.00 175.22 174.01 2k1x n ASP 20 N 4.39 3.94 -4.88 1.98 5.68 -1.26 -3.40 116.55 123.00 2k1x n ASP 20 Ca -0.22 -3.42 -0.30 0.00 -0.50 0.00 0.00 54.79 50.34 2k1x n ASP 20 Cb 0.53 -0.73 0.02 0.00 -1.14 0.00 0.00 41.12 39.80 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 -2.41 3.10 -0.26 2.12 0.00 -1.24 -4.92 121.76 118.14 2k1x s ALA 21 Ca 0.38 -0.19 0.22 0.00 0.00 0.00 0.00 51.96 52.37 2k1x s ALA 21 Cb 0.12 -3.01 0.51 0.00 0.00 0.00 0.00 23.12 20.73 2k1x s ALA 21 CO -0.02 -0.74 1.11 -2.37 0.00 0.00 0.00 175.76 173.74 2k1x n THR 22 N -2.75 1.34 -2.94 0.00 5.66 -1.26 -4.24 114.28 110.09 2k1x n THR 22 Ca 0.06 -3.01 -0.13 0.00 -3.05 0.00 0.00 64.05 57.92 2k1x n THR 22 Cb 0.55 1.14 0.03 0.00 -1.55 0.00 0.00 70.33 70.50 2k1x n THR 22 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2k1x n SER 23 N -0.59 -0.79 -2.55 1.09 2.88 -1.26 -4.67 113.62 107.74 2k1x n SER 23 Ca 0.09 -3.33 -0.02 0.00 -1.33 0.00 0.00 58.87 54.29 2k1x n SER 23 Cb 0.81 0.68 0.00 0.00 -0.75 0.00 0.00 64.21 64.95 2k1x n SER 23 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k1x n ASP 24 N 0.28 -7.06 -4.88 -3.46 -0.08 -1.26 -5.01 116.55 95.09 2k1x n ASP 24 Ca 0.14 1.03 -0.30 0.00 -1.51 0.00 0.00 54.79 54.15 2k1x n ASP 24 Cb 0.69 -4.67 0.03 0.00 2.34 0.00 0.00 41.12 39.51 2k1x n ASP 24 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2k1x s GLN 25 N -1.60 3.20 -0.59 -0.67 -0.21 -1.26 -4.98 119.66 113.55 2k1x s GLN 25 Ca 0.05 0.58 -0.27 0.00 0.02 0.00 0.00 55.36 55.74 2k1x s GLN 25 Cb -0.01 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.94 2k1x s GLN 25 CO 0.66 -0.81 1.59 -1.25 -2.12 0.00 0.00 175.29 173.36 2k1x s PRO 26 N -5.27 3.03 0.56 2.91 0.04 -1.26 -4.98 135.00 130.03 2k1x s PRO 26 Ca 0.57 0.47 -0.19 0.00 0.04 0.00 0.00 61.00 61.89 2k1x s PRO 26 Cb -0.11 -4.24 -0.07 0.00 0.04 0.00 0.00 34.50 30.12 2k1x s PRO 26 CO 0.53 -2.27 0.78 0.41 0.04 0.00 0.00 177.00 176.48 2k1x n GLY 27 N 5.46 -0.81 3.49 0.56 0.00 -1.26 -4.74 105.19 107.89 2k1x n GLY 27 Ca 0.15 -0.11 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.54 1.00 -2.59 4.61 0.00 -1.26 -4.70 120.51 116.02 2k1x n ALA 28 Ca 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 2k1x n ALA 28 Cb 0.46 -2.68 0.10 0.00 0.00 0.00 0.00 19.45 17.33 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 6.37 1.83 3.15 0.00 0.00 -1.26 -4.20 105.19 111.08 2k1x n GLY 29 Ca 0.42 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.28 2k1x n GLY 29 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k1x s ASP 30 N -1.29 -0.91 0.00 1.61 1.47 -1.26 -5.09 116.67 111.20 2k1x s ASP 30 Ca 0.09 0.23 0.00 0.00 1.18 0.00 0.00 52.55 54.06 2k1x s ASP 30 Cb 0.38 1.63 0.00 0.00 -0.34 0.00 0.00 42.92 44.59 2k1x s ASP 30 CO -0.11 -0.17 0.00 -3.20 0.68 0.00 0.00 175.17 172.38 2k1x n ASN 31 N 5.31 0.00 -0.87 2.11 2.85 -1.26 -5.07 115.26 118.33 2k1x n ASN 31 Ca 0.04 -0.92 0.00 0.00 -0.11 0.00 0.00 54.58 53.59 2k1x n ASN 31 Cb 0.55 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.57 2k1x n ASN 31 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2k1x n LEU 32 N 0.00 0.00 0.06 1.20 7.94 -1.26 -4.26 117.00 120.68 2k1x n LEU 32 Ca 0.00 0.00 0.21 0.00 -1.11 0.00 0.00 56.01 55.11 2k1x n LEU 32 Cb 0.00 0.00 0.74 0.00 0.53 0.00 0.00 43.42 44.69 2k1x n LEU 32 CO 0.00 0.00 1.18 -0.55 -1.11 0.00 0.00 177.39 176.91 2k1x h ASN 33 N 0.00 0.00 -0.49 1.96 7.08 -1.83 -2.65 115.58 119.64 2k1x h ASN 33 Ca 0.00 0.00 -0.49 0.00 -3.08 0.00 0.00 56.30 52.73 2k1x h ASN 33 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 36.16 2k1x h ASN 33 CO 0.00 0.00 1.33 0.47 -2.08 0.00 0.00 177.43 177.15 2k1x n ASP 34 N -3.96 6.92 -4.42 6.14 8.00 -1.26 -4.86 116.55 123.10 2k1x n ASP 34 Ca 0.08 -2.81 -0.44 0.00 0.71 0.00 0.00 54.79 52.33 2k1x n ASP 34 Cb 0.60 -1.39 -0.05 0.00 -0.02 0.00 0.00 41.12 40.26 2k1x n ASP 34 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2k1x s LYS 35 N 0.16 3.10 -0.13 -1.24 2.47 -1.00 -5.00 119.74 118.10 2k1x s LYS 35 Ca 0.63 -1.03 -0.06 0.00 -1.56 0.00 0.00 55.97 53.96 2k1x s LYS 35 Cb 0.28 -4.19 0.06 0.00 -1.46 0.00 0.00 37.83 32.52 2k1x s LYS 35 CO -0.09 -1.47 0.29 0.96 0.16 0.00 0.00 175.35 175.21 2k1x s ILE 36 N 2.96 -0.26 0.00 5.43 -0.00 -1.26 -4.90 121.20 123.17 2k1x s ILE 36 Ca 0.16 0.20 0.00 0.00 -0.00 0.00 0.00 60.65 61.01 2k1x s ILE 36 Cb -0.21 -0.47 0.00 0.00 -0.00 0.00 0.00 42.46 41.79 2k1x s ILE 36 CO 0.10 0.08 0.00 -1.54 -0.00 0.00 0.00 174.94 173.58 2k1x n SER 37 N 4.84 0.00 -4.42 4.36 3.41 -1.24 -3.94 113.62 116.63 2k1x n SER 37 Ca -0.15 -0.68 -0.21 0.00 -0.26 0.00 0.00 58.87 57.57 2k1x n SER 37 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.04 2.78 -0.01 4.04 0.15 -1.18 -3.38 113.70 116.06 2k1x s SER 38 Ca 0.00 -1.17 0.04 0.00 0.70 0.00 0.00 55.95 55.52 2k1x s SER 38 Cb 0.00 -0.17 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 2k1x s SER 38 CO 0.00 -0.31 -0.13 -0.51 1.20 0.00 0.00 173.24 173.49 2k1x s ILE 39 N -2.99 0.99 -0.02 6.45 -1.16 0.86 -2.90 121.20 122.43 2k1x s ILE 39 Ca 0.29 -0.56 0.00 0.00 -0.51 0.00 0.00 60.65 59.87 2k1x s ILE 39 Cb 0.03 -0.83 0.02 0.00 0.61 0.00 0.00 42.46 42.29 2k1x s ILE 39 CO 0.11 0.26 0.00 -0.75 -2.81 0.00 0.00 174.94 171.76 2k1x s LYS 40 N -0.34 0.17 -0.01 3.50 2.20 -1.01 -1.61 119.74 122.64 2k1x s LYS 40 Ca 0.05 0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.76 2k1x s LYS 40 Cb -0.05 -0.34 -0.00 0.00 -1.51 0.00 0.00 37.83 35.92 2k1x s LYS 40 CO -0.00 -0.11 -0.09 0.54 -0.36 0.00 0.00 175.35 175.33 2k1x s VAL 41 N 0.80 0.71 -0.28 4.02 0.11 -1.22 -3.24 120.40 121.30 2k1x s VAL 41 Ca -0.07 -0.37 0.21 0.00 -2.93 0.00 0.00 61.98 58.81 2k1x s VAL 41 Cb -0.11 -0.61 0.49 0.00 -1.53 0.00 0.00 36.38 34.62 2k1x s VAL 41 CO -0.02 0.21 1.14 1.17 -3.33 0.00 0.00 175.10 174.27 2k1x n LYS 42 N 2.94 1.58 -3.16 1.54 3.00 -1.21 -3.82 118.16 119.03 2k1x n LYS 42 Ca -0.14 -3.18 0.05 0.00 -0.00 0.00 0.00 58.31 55.04 2k1x n LYS 42 Cb 0.56 -1.29 -0.02 0.00 0.00 0.00 0.00 35.03 34.28 2k1x n LYS 42 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2k1x s SER 43 N -3.35 -0.45 1.02 3.14 0.01 -1.26 -4.62 113.70 108.19 2k1x s SER 43 Ca 0.25 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2k1x s SER 43 Cb 0.36 1.39 0.00 0.00 0.21 0.00 0.00 66.02 67.98 2k1x s SER 43 CO -0.04 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2k1x n GLY 44 N 5.42 2.88 3.26 3.44 0.00 -1.26 -4.77 105.19 114.16 2k1x n GLY 44 Ca -0.07 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 0.39 2.61 -4.23 -1.26 -4.46 115.64 108.69 2k1x s THR 45 Ca 0.00 -0.06 0.08 0.00 -1.18 0.00 0.00 61.69 60.53 2k1x s THR 45 Cb 0.00 -0.53 -0.03 0.00 1.34 0.00 0.00 72.50 73.27 2k1x s THR 45 CO 0.00 -0.03 0.27 0.26 -0.54 0.00 0.00 174.62 174.57 2k1x s TRP 46 N 0.01 2.70 -0.22 3.99 0.51 -1.09 -4.49 118.94 120.35 2k1x s TRP 46 Ca -0.02 -0.48 -0.05 0.00 -2.12 0.00 0.00 56.10 53.44 2k1x s TRP 46 Cb -0.03 -1.96 -0.02 0.00 -0.81 0.00 0.00 33.47 30.65 2k1x s TRP 46 CO 0.01 0.09 -0.01 1.03 -0.51 0.00 0.00 176.95 177.56 2k1x s ARG 47 N -3.99 3.47 -0.16 4.98 3.00 -1.22 -0.06 118.95 124.97 2k1x s ARG 47 Ca 0.43 -0.58 -0.03 0.00 0.00 0.00 0.00 55.73 55.56 2k1x s ARG 47 Cb -0.01 -3.08 -0.02 0.00 0.00 0.00 0.00 34.95 31.84 2k1x s ARG 47 CO 0.25 -0.16 -0.06 -0.06 0.00 0.00 0.00 175.30 175.27 2k1x s PHE 48 N 1.42 2.95 -0.04 -0.53 0.08 0.92 -3.01 117.98 119.77 2k1x s PHE 48 Ca 0.05 -0.52 -0.01 0.00 0.12 0.00 0.00 56.93 56.57 2k1x s PHE 48 Cb -0.14 -1.96 0.03 0.00 -0.57 0.00 0.00 43.02 40.38 2k1x s PHE 48 CO -0.01 -0.19 0.06 1.52 -0.10 0.00 0.00 175.22 176.50 2k1x s TYR 49 N 0.61 -0.00 -0.88 0.36 -0.85 -0.83 -0.89 117.35 114.87 2k1x s TYR 49 Ca -0.04 0.25 -0.14 0.00 -0.52 0.00 0.00 57.07 56.63 2k1x s TYR 49 Cb -0.15 -0.29 0.22 0.00 0.38 0.00 0.00 41.96 42.12 2k1x s TYR 49 CO 0.03 -0.15 0.85 -1.21 -1.52 0.00 0.00 175.55 173.55 2k1x s GLU 50 N 1.52 3.69 0.00 -3.49 0.41 -1.26 -1.31 118.70 118.27 2k1x s GLU 50 Ca -0.04 -2.51 0.00 0.00 -0.41 0.00 0.00 54.97 52.01 2k1x s GLU 50 Cb -0.12 -4.49 0.00 0.00 -1.78 0.00 0.00 34.13 27.74 2k1x s GLU 50 CO -0.04 -1.32 0.00 0.66 -0.49 0.00 0.00 175.26 174.07 2k1x n TYR 51 N 4.01 0.00 -0.43 1.61 4.01 -1.19 -4.38 117.16 120.79 2k1x n TYR 51 Ca 0.16 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.61 2k1x n TYR 51 Cb 0.46 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.75 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 0.38 0.00 -1.28 -0.72 -5.35 -1.26 -4.40 119.36 106.73 2k1x n ILE 52 Ca 0.00 -0.36 -0.22 0.00 -0.27 0.00 0.00 62.75 61.90 2k1x n ILE 52 Cb 0.00 -0.93 -0.10 0.00 -1.74 0.00 0.00 39.64 36.86 2k1x n ILE 52 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2k1x n ASN 53 N -4.70 6.29 0.00 7.28 3.02 -1.26 -3.74 115.26 122.14 2k1x n ASN 53 Ca 0.04 -2.79 0.00 0.00 -0.03 0.00 0.00 54.58 51.80 2k1x n ASN 53 Cb 0.56 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 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 2.00 -1.25 -3.68 3.10 4.01 -1.26 -5.12 117.16 114.95 2k1x n TYR 54 Ca 0.51 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 58.14 2k1x n TYR 54 Cb 0.66 0.39 -0.11 0.00 -0.31 0.00 0.00 39.34 39.97 2k1x n TYR 54 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2k1x s GLY 55 N -2.80 -0.25 0.27 2.72 0.00 -1.25 -5.16 107.32 100.85 2k1x s GLY 55 Ca 0.00 1.29 -0.21 0.00 0.00 0.00 0.00 44.72 45.81 2k1x s GLY 55 CO 0.00 1.87 0.83 -0.32 0.00 0.00 0.00 173.10 175.48 2k1x s GLY 56 N 1.93 0.01 -0.35 0.20 0.00 -1.26 -4.10 107.32 103.75 2k1x s GLY 56 Ca -0.05 -0.32 -0.27 0.00 0.00 0.00 0.00 44.72 44.08 2k1x s GLY 56 CO -0.11 0.14 2.21 -1.60 0.00 0.00 0.00 173.10 173.74 2k1x s ARG 57 N -3.18 2.76 -0.62 2.90 3.52 -1.26 -4.89 118.95 118.18 2k1x s ARG 57 Ca 0.14 1.65 -0.28 0.00 -0.13 0.00 0.00 55.73 57.11 2k1x s ARG 57 Cb -0.04 -4.43 0.02 0.00 -1.56 0.00 0.00 34.95 28.94 2k1x s ARG 57 CO 0.07 -2.53 1.40 -0.47 -0.81 0.00 0.00 175.30 172.96 2k1x s TYR 58 N 9.54 2.25 -0.20 5.12 5.04 -1.26 -4.00 117.35 133.85 2k1x s TYR 58 Ca 0.95 0.36 -0.04 0.00 -2.44 0.00 0.00 57.07 55.89 2k1x s TYR 58 Cb -0.25 -4.44 0.07 0.00 0.35 0.00 0.00 41.96 37.69 2k1x s TYR 58 CO 0.31 -2.00 0.08 -0.46 -1.34 0.00 0.00 175.55 172.14 2k1x s TRP 59 N 6.16 0.50 0.46 4.97 -0.00 -0.07 -5.01 118.94 125.96 2k1x s TRP 59 Ca 0.48 -0.61 -0.15 0.00 -0.00 0.00 0.00 56.10 55.82 2k1x s TRP 59 Cb -0.10 -0.86 -0.08 0.00 -0.00 0.00 0.00 33.47 32.43 2k1x s TRP 59 CO 0.22 -0.61 0.90 0.16 -0.00 0.00 0.00 176.95 177.62 2k1x s ASP 60 N 2.03 6.62 -0.15 5.86 -4.77 -1.26 -0.06 116.67 124.96 2k1x s ASP 60 Ca 0.03 1.42 -0.05 0.00 -3.30 0.00 0.00 52.55 50.65 2k1x s ASP 60 Cb -0.16 -2.44 -0.04 0.00 -1.09 0.00 0.00 42.92 39.19 2k1x s ASP 60 CO -0.14 -0.49 0.04 -0.22 0.70 0.00 0.00 175.17 175.07 2k1x s LEU 61 N -3.87 3.75 0.54 2.11 2.96 0.92 -4.83 118.68 120.26 2k1x s LEU 61 Ca 0.56 0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.64 2k1x s LEU 61 Cb -0.10 -1.92 0.03 0.00 0.50 0.00 0.00 46.19 44.71 2k1x s LEU 61 CO 0.29 0.25 0.36 -0.83 -1.32 0.00 0.00 176.35 175.10 2k1x s GLY 62 N -0.12 2.46 -0.79 7.98 0.00 -1.26 -2.67 107.32 112.92 2k1x s GLY 62 Ca 0.06 -1.12 -0.30 0.00 0.00 0.00 0.00 44.72 43.36 2k1x s GLY 62 CO 0.01 -1.98 2.57 -1.05 0.00 0.00 0.00 173.10 172.66 2k1x n PRO 63 N -1.71 0.39 0.00 2.90 -0.02 -1.26 -4.74 135.00 130.55 2k1x n PRO 63 Ca -0.04 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2k1x n PRO 63 Cb 0.65 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 6.37 2.51 3.22 -1.23 0.00 -1.25 -5.07 105.19 109.75 2k1x n GLY 64 Ca 0.55 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 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 1.66 0.00 1.61 -6.30 -1.26 -3.44 118.70 108.97 2k1x s GLU 65 Ca 0.00 -0.75 -0.01 0.00 -2.50 0.00 0.00 54.97 51.71 2k1x s GLU 65 Cb 0.00 -1.62 -0.01 0.00 0.00 0.00 0.00 34.13 32.51 2k1x s GLU 65 CO 0.00 0.44 0.01 1.52 0.02 0.00 0.00 175.26 177.26 2k1x s TYR 66 N -0.50 0.08 -0.59 5.30 -0.85 -0.63 -4.98 117.35 115.17 2k1x s TYR 66 Ca 0.08 -0.15 0.06 0.00 -0.52 0.00 0.00 57.07 56.53 2k1x s TYR 66 Cb -0.08 -0.06 0.21 0.00 0.38 0.00 0.00 41.96 42.41 2k1x s TYR 66 CO -0.01 -0.10 0.57 0.45 -1.52 0.00 0.00 175.55 174.95 2k1x n SER 67 N 2.43 2.32 -4.90 -0.18 2.88 -1.26 -0.10 113.62 114.81 2k1x n SER 67 Ca -0.17 -3.09 -0.28 0.00 -1.33 0.00 0.00 58.87 54.00 2k1x n SER 67 Cb 0.58 -0.68 -0.01 0.00 -0.75 0.00 0.00 64.21 63.35 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 -1.57 6.31 0.00 -3.46 0.01 -1.22 -4.91 113.70 108.86 2k1x s SER 68 Ca 0.33 0.95 0.01 0.00 1.31 0.00 0.00 55.95 58.56 2k1x s SER 68 Cb 0.07 -2.26 0.02 0.00 0.21 0.00 0.00 66.02 64.07 2k1x s SER 68 CO -0.11 -0.54 0.76 1.33 0.41 0.00 0.00 173.24 175.09 2k1x n VAL 69 N -2.07 0.00 -2.65 3.43 0.24 -1.26 -3.69 118.33 112.32 2k1x n VAL 69 Ca 0.01 -0.05 -0.02 0.00 -2.04 0.00 0.00 64.34 62.23 2k1x n VAL 69 Cb 0.55 0.27 0.09 0.00 -1.47 0.00 0.00 33.84 33.28 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 0.02 0.03 0.00 7.34 0.28 -1.26 -4.97 120.64 122.09 2k1x n GLU 70 Ca -0.02 -0.54 0.00 0.00 -0.16 0.00 0.00 57.16 56.44 2k1x n GLU 70 Cb 0.62 -0.03 0.00 0.00 1.43 0.00 0.00 31.44 33.47 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 0.31 0.00 0.11 -1.84 7.64 -1.26 -5.01 113.62 113.57 2k1x n SER 71 Ca -0.12 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.63 2k1x n SER 71 Cb 0.74 0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.87 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 -0.94 -0.76 -0.43 0.00 -1.95 -3.42 119.26 111.76 2k1x h ALA 72 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2k1x h ALA 72 Cb 0.00 0.79 -0.18 0.00 0.00 0.00 0.00 17.79 18.40 2k1x h ALA 72 CO 0.00 -1.03 -0.35 0.20 0.00 0.00 0.00 179.25 178.07 2k1x s GLY 73 N -1.96 -1.36 -0.48 0.00 0.00 -1.26 -4.94 107.32 97.31 2k1x s GLY 73 Ca -0.13 0.47 0.08 0.00 0.00 0.00 0.00 44.72 45.13 2k1x s GLY 73 CO 0.49 3.86 0.66 1.39 0.00 0.00 0.00 173.10 179.50 2k1x n ILE 74 N 4.06 0.66 -0.07 0.90 2.08 -1.26 -4.93 119.36 120.80 2k1x n ILE 74 Ca 0.10 -4.62 -0.12 0.00 0.56 0.00 0.00 62.75 58.68 2k1x n ILE 74 Cb 0.59 -1.67 -0.11 0.00 -0.75 0.00 0.00 39.64 37.71 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 3.78 0.00 0.00 0.38 0.13 -1.97 -3.49 132.00 130.84 2k1x h PRO 75 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2k1x h PRO 75 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2k1x h PRO 75 CO 0.61 0.81 0.00 -0.25 -0.23 0.00 0.00 178.00 178.95 2k1x n ASP 76 N -4.64 0.00 -2.53 1.44 8.00 -1.26 -5.14 116.55 112.42 2k1x n ASP 76 Ca -0.09 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.28 2k1x n ASP 76 Cb 0.40 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.45 2k1x n ASP 76 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2k1x n ASN 77 N 0.00 -0.56 -4.50 -2.24 0.23 -1.26 -2.82 115.26 104.10 2k1x n ASN 77 Ca 0.00 -2.50 -0.42 0.00 -0.53 0.00 0.00 54.58 51.13 2k1x n ASN 77 Cb 0.00 1.25 -0.09 0.00 -2.08 0.00 0.00 39.78 38.86 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 -2.61 6.18 0.00 0.53 0.15 -1.26 -4.80 113.70 111.89 2k1x s SER 78 Ca 0.27 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2k1x s SER 78 Cb 0.01 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2k1x s SER 78 CO 0.19 -0.49 0.51 2.30 1.20 0.00 0.00 173.24 176.95 2k1x n ILE 79 N 5.34 0.00 -2.09 6.45 -0.00 -1.26 -4.76 119.36 123.04 2k1x n ILE 79 Ca -0.08 0.00 -0.27 0.00 -0.00 0.00 0.00 62.75 62.40 2k1x n ILE 79 Cb 0.48 0.85 0.08 0.00 -0.00 0.00 0.00 39.64 41.05 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 -0.10 4.60 -0.08 7.28 1.04 -1.26 -3.16 113.70 122.02 2k1x s SER 80 Ca 0.00 0.54 -0.30 0.00 0.48 0.00 0.00 55.95 56.67 2k1x s SER 80 Cb 0.00 -1.09 0.10 0.00 0.10 0.00 0.00 66.02 65.13 2k1x s SER 80 CO 0.00 -1.78 0.87 -0.55 0.98 0.00 0.00 173.24 172.76 2k1x s SER 81 N -4.57 -0.46 -0.14 7.02 0.15 -0.43 -4.46 113.70 110.83 2k1x s SER 81 Ca 0.62 0.38 -0.13 0.00 0.70 0.00 0.00 55.95 57.52 2k1x s SER 81 Cb -0.10 0.40 0.04 0.00 -1.71 0.00 0.00 66.02 64.64 2k1x s SER 81 CO 0.47 -0.51 0.37 0.72 1.20 0.00 0.00 173.24 175.49 2k1x s PHE 82 N -1.70 -0.40 -0.15 3.44 -0.71 -1.26 -1.96 117.98 115.23 2k1x s PHE 82 Ca -0.03 0.99 -0.03 0.00 -1.04 0.00 0.00 56.93 56.82 2k1x s PHE 82 Cb -0.00 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.92 2k1x s PHE 82 CO 0.01 -0.19 -0.04 1.03 -1.34 0.00 0.00 175.22 174.68 2k1x s ARG 83 N 0.20 3.61 -0.07 1.99 1.81 -1.16 -4.68 118.95 120.64 2k1x s ARG 83 Ca -0.00 -0.53 -0.20 0.00 -1.72 0.00 0.00 55.73 53.28 2k1x s ARG 83 Cb -0.03 -2.88 -0.04 0.00 -0.45 0.00 0.00 34.95 31.55 2k1x s ARG 83 CO 0.00 0.27 0.58 -0.65 -0.68 0.00 0.00 175.30 174.82 2k1x s GLN 84 N 0.28 4.36 0.00 3.54 1.11 -1.26 -3.38 119.66 124.31 2k1x s GLN 84 Ca -0.04 0.66 0.00 0.00 0.01 0.00 0.00 55.36 56.00 2k1x s GLN 84 Cb -0.14 -3.41 0.00 0.00 -1.01 0.00 0.00 33.01 28.45 2k1x s GLN 84 CO 0.03 0.19 0.26 0.44 0.01 0.00 0.00 175.29 176.22