#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 2.64 -0.43 6.12 3.84 -1.26 -5.10 114.94 120.75 2k1x s ASN 2 Ca 0.00 -1.13 0.04 0.00 0.21 0.00 0.00 52.86 51.98 2k1x s ASN 2 Cb 0.00 -0.15 0.28 0.00 -0.55 0.00 0.00 41.25 40.83 2k1x s ASN 2 CO 0.00 -0.29 1.08 0.00 -2.79 0.00 0.00 177.10 175.11 2k1x n ALA 3 N -0.50 -1.89 -3.36 1.71 0.00 -1.26 -4.96 120.51 110.26 2k1x n ALA 3 Ca -0.06 -1.08 -0.15 0.00 0.00 0.00 0.00 53.44 52.14 2k1x n ALA 3 Cb 0.62 -1.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.11 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 0.39 -0.62 -0.23 0.00 0.00 -1.26 -5.06 121.76 114.98 2k1x s ALA 4 Ca 0.27 -0.59 -0.24 0.00 0.00 0.00 0.00 51.96 51.40 2k1x s ALA 4 Cb 0.25 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 2k1x s ALA 4 CO -0.16 -1.97 0.78 -1.83 0.00 0.00 0.00 175.76 172.58 2k1x s GLU 5 N 1.85 4.20 -0.05 0.00 -1.05 -1.26 -4.10 118.70 118.29 2k1x s GLU 5 Ca 0.14 0.87 0.05 0.00 -0.15 0.00 0.00 54.97 55.87 2k1x s GLU 5 Cb -0.14 -3.62 -0.02 0.00 -0.44 0.00 0.00 34.13 29.90 2k1x s GLU 5 CO -0.15 -0.44 -0.18 0.14 0.95 0.00 0.00 175.26 175.58 2k1x s VAL 6 N 2.56 2.69 -0.40 1.83 -7.23 -1.24 -4.89 120.40 113.73 2k1x s VAL 6 Ca 0.34 -0.85 -0.14 0.00 -1.81 0.00 0.00 61.98 59.52 2k1x s VAL 6 Cb -0.16 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.78 2k1x s VAL 6 CO 0.09 0.58 0.28 -0.51 -0.31 0.00 0.00 175.10 175.22 2k1x s ILE 7 N -0.50 5.08 -0.00 -0.62 1.10 -1.22 -4.21 121.20 120.83 2k1x s ILE 7 Ca 0.06 -0.71 0.04 0.00 -0.51 0.00 0.00 60.65 59.53 2k1x s ILE 7 Cb -0.12 -3.83 -0.01 0.00 0.15 0.00 0.00 42.46 38.65 2k1x s ILE 7 CO 0.01 -0.29 -0.13 -0.69 -2.11 0.00 0.00 174.94 171.73 2k1x s VAL 8 N 1.65 1.05 -0.02 4.00 1.01 -1.17 -2.35 120.40 124.57 2k1x s VAL 8 Ca 0.04 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 2k1x s VAL 8 Cb -0.19 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 2k1x s VAL 8 CO 0.09 0.25 0.40 -0.31 0.00 0.00 0.00 175.10 175.54 2k1x s TYR 9 N -0.39 3.70 -0.48 5.22 1.51 -1.11 -3.03 117.35 122.77 2k1x s TYR 9 Ca 0.05 0.96 -0.02 0.00 -1.01 0.00 0.00 57.07 57.05 2k1x s TYR 9 Cb -0.05 -2.30 0.27 0.00 -0.11 0.00 0.00 41.96 39.76 2k1x s TYR 9 CO -0.00 0.59 2.15 -1.91 -1.11 0.00 0.00 175.55 175.27 2k1x n GLU 10 N 2.03 2.23 -3.24 -0.62 4.07 0.90 -3.86 120.64 122.14 2k1x n GLU 10 Ca -0.13 -2.33 0.00 0.00 -0.06 0.00 0.00 57.16 54.63 2k1x n GLU 10 Cb 0.52 -1.94 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 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 0.01 0.00 -0.91 4.31 8.25 -1.26 -4.53 115.22 121.10 2k1x n HIS 11 Ca 0.44 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.60 2k1x n HIS 11 Cb 0.57 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.82 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 2.52 -0.73 1.59 1.01 -1.26 -3.06 120.40 117.48 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 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2k1x s VAL 12 CO 0.00 -0.22 2.92 -3.20 0.00 0.00 0.00 175.10 174.59 2k1x n ASN 13 N -4.00 6.90 -0.50 3.32 5.15 -1.26 -3.52 115.26 121.34 2k1x n ASN 13 Ca 0.10 -2.92 -0.01 0.00 -0.60 0.00 0.00 54.58 51.15 2k1x n ASN 13 Cb 0.53 -1.36 -0.01 0.00 -0.53 0.00 0.00 39.78 38.41 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 1.87 0.00 0.00 1.20 -1.74 -1.26 -5.02 117.46 112.50 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 0.52 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 -0.05 3.22 4.97 0.00 -1.23 -5.18 105.19 106.92 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 1.59 0.27 -0.02 0.00 -1.23 -4.67 107.32 103.26 2k1x s GLY 16 Ca 0.00 -1.76 -0.12 0.00 0.00 0.00 0.00 44.72 42.84 2k1x s GLY 16 CO 0.00 -1.40 0.63 1.25 0.00 0.00 0.00 173.10 173.58 2k1x s LYS 17 N -4.02 3.90 0.00 2.90 2.36 -1.26 -4.91 119.74 118.71 2k1x s LYS 17 Ca 0.39 0.46 0.04 0.00 -2.55 0.00 0.00 55.97 54.31 2k1x s LYS 17 Cb 0.06 -2.56 -0.01 0.00 -1.05 0.00 0.00 37.83 34.27 2k1x s LYS 17 CO 0.15 0.25 -0.12 -1.54 1.55 0.00 0.00 175.35 175.64 2k1x s SER 18 N -2.30 1.37 0.05 1.43 1.04 -1.26 -0.07 113.70 113.95 2k1x s SER 18 Ca 0.50 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.68 2k1x s SER 18 Cb -0.11 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 2k1x s SER 18 CO 0.19 0.10 -0.07 0.72 0.98 0.00 0.00 173.24 175.17 2k1x s PHE 19 N -0.43 0.67 -0.41 5.02 -0.12 -1.17 -5.02 117.98 116.52 2k1x s PHE 19 Ca 0.03 -0.60 0.05 0.00 -0.05 0.00 0.00 56.93 56.36 2k1x s PHE 19 Cb -0.05 -0.41 0.19 0.00 -0.63 0.00 0.00 43.02 42.12 2k1x s PHE 19 CO -0.00 -0.12 0.40 -0.40 -0.05 0.00 0.00 175.22 175.06 2k1x n ASP 20 N 1.13 -0.48 -4.84 1.98 5.68 -1.26 -3.04 116.55 115.73 2k1x n ASP 20 Ca -0.21 -2.47 -0.32 0.00 -0.50 0.00 0.00 54.79 51.29 2k1x n ASP 20 Cb 0.56 -0.46 -0.05 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 -0.19 3.08 -0.54 2.12 0.00 -1.26 -4.90 121.76 120.06 2k1x s ALA 21 Ca 0.33 0.23 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 2k1x s ALA 21 Cb 0.07 -3.10 0.25 0.00 0.00 0.00 0.00 23.12 20.34 2k1x s ALA 21 CO -0.17 -0.09 2.26 0.25 0.00 0.00 0.00 175.76 178.01 2k1x n THR 22 N -1.22 3.30 -3.57 0.00 -2.24 -1.26 -3.64 114.28 105.65 2k1x n THR 22 Ca 0.06 -2.87 -0.00 0.00 -2.27 0.00 0.00 64.05 58.97 2k1x n THR 22 Cb 0.54 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 2k1x n THR 22 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2k1x n SER 23 N 0.05 -0.35 -4.59 3.42 2.88 -1.26 -4.54 113.62 109.23 2k1x n SER 23 Ca 0.48 -1.17 -0.42 0.00 -1.33 0.00 0.00 58.87 56.43 2k1x n SER 23 Cb 0.52 0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 64.51 2k1x n SER 23 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k1x s ASP 24 N -1.52 5.48 0.67 -3.46 2.15 -1.26 -4.74 116.67 113.99 2k1x s ASP 24 Ca 0.05 1.51 -0.11 0.00 0.43 0.00 0.00 52.55 54.43 2k1x s ASP 24 Cb -0.01 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 40.09 2k1x s ASP 24 CO 0.01 -2.00 1.07 -1.10 -0.17 0.00 0.00 175.17 172.98 2k1x s GLN 25 N 6.35 3.17 -0.59 4.34 -0.21 -1.26 -4.90 119.66 126.56 2k1x s GLN 25 Ca 0.91 0.59 -0.33 0.00 0.02 0.00 0.00 55.36 56.55 2k1x s GLN 25 Cb -0.26 -2.04 -0.15 0.00 1.00 0.00 0.00 33.01 31.55 2k1x s GLN 25 CO 0.33 -0.84 2.38 -2.30 -2.12 0.00 0.00 175.29 172.73 2k1x n PRO 26 N -2.90 0.60 -0.52 2.91 -0.02 -1.26 -4.90 135.00 128.91 2k1x n PRO 26 Ca 0.07 0.11 -0.27 0.00 -2.02 0.00 0.00 63.50 61.39 2k1x n PRO 26 Cb 0.56 -2.23 0.20 0.00 -0.02 0.00 0.00 33.50 32.00 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 6.57 -2.72 0.88 -1.23 0.00 -1.26 -4.97 105.19 102.46 2k1x n GLY 27 Ca 0.50 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.76 -1.47 -0.25 4.61 0.00 -1.26 -4.96 120.51 112.43 2k1x n ALA 28 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2k1x n ALA 28 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.60 -0.16 0.02 0.00 0.00 -1.19 -4.75 105.19 97.50 2k1x n GLY 29 Ca 0.04 -0.93 -0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.00 -3.46 1.61 2.03 -1.26 -5.05 116.55 110.42 2k1x n ASP 30 Ca 0.00 -1.01 -0.31 0.00 0.52 0.00 0.00 54.79 53.99 2k1x n ASP 30 Cb 0.00 0.01 0.28 0.00 -0.72 0.00 0.00 41.12 40.69 2k1x n ASP 30 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2k1x s ASN 31 N -1.02 -0.64 -0.16 1.67 -0.87 -1.26 -4.27 114.94 108.39 2k1x s ASN 31 Ca 0.00 0.73 -0.28 0.00 -1.57 0.00 0.00 52.86 51.74 2k1x s ASN 31 Cb 0.00 -1.00 -0.01 0.00 -0.02 0.00 0.00 41.25 40.23 2k1x s ASN 31 CO 0.00 -5.09 0.95 -0.76 -2.57 0.00 0.00 177.10 169.64 2k1x s LEU 32 N -7.62 4.18 -0.95 0.60 1.02 -1.26 -4.11 118.68 110.53 2k1x s LEU 32 Ca 0.70 1.36 -0.09 0.00 0.02 0.00 0.00 54.13 56.11 2k1x s LEU 32 Cb -0.11 -3.44 -0.01 0.00 0.02 0.00 0.00 46.19 42.65 2k1x s LEU 32 CO 0.57 -0.49 0.74 0.59 0.02 0.00 0.00 176.35 177.78 2k1x n ASN 33 N 5.47 -6.11 -2.55 2.29 4.13 -1.26 -4.93 115.26 112.29 2k1x n ASN 33 Ca 0.08 -0.70 -0.04 0.00 1.68 0.00 0.00 54.58 55.61 2k1x n ASN 33 Cb 0.48 -3.80 0.00 0.00 -1.54 0.00 0.00 39.78 34.92 2k1x n ASN 33 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2k1x n ASP 34 N -2.46 -1.11 -3.52 6.41 -0.08 -1.26 -5.11 116.55 109.42 2k1x n ASP 34 Ca -0.11 -1.67 -0.25 0.00 -1.51 0.00 0.00 54.79 51.25 2k1x n ASP 34 Cb 0.59 0.90 -0.14 0.00 2.34 0.00 0.00 41.12 44.81 2k1x n ASP 34 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2k1x s LYS 35 N 0.04 0.19 -0.13 -0.67 2.47 -1.26 -4.60 119.74 115.78 2k1x s LYS 35 Ca 0.05 -0.29 -0.05 0.00 -1.56 0.00 0.00 55.97 54.11 2k1x s LYS 35 Cb 0.10 -1.21 0.06 0.00 -1.46 0.00 0.00 37.83 35.31 2k1x s LYS 35 CO -0.02 -0.91 0.28 0.96 0.16 0.00 0.00 175.35 175.81 2k1x s ILE 36 N 2.18 -0.27 0.00 5.43 -0.00 -1.26 -3.54 121.20 123.73 2k1x s ILE 36 Ca 0.07 0.22 0.00 0.00 -0.00 0.00 0.00 60.65 60.94 2k1x s ILE 36 Cb -0.16 -0.45 0.00 0.00 -0.00 0.00 0.00 42.46 41.86 2k1x s ILE 36 CO -0.28 0.09 0.00 -1.54 -0.00 0.00 0.00 174.94 173.21 2k1x n SER 37 N 4.90 0.00 -4.31 4.36 3.41 -0.71 -4.03 113.62 117.24 2k1x n SER 37 Ca -0.14 -0.83 -0.18 0.00 -0.26 0.00 0.00 58.87 57.45 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 -0.44 -0.16 0.00 0.00 175.04 174.44 2k1x s SER 38 N -0.50 2.39 -0.02 4.04 0.01 -1.17 -0.70 113.70 117.75 2k1x s SER 38 Ca 0.00 -0.95 0.08 0.00 1.31 0.00 0.00 55.95 56.38 2k1x s SER 38 Cb 0.00 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 2k1x s SER 38 CO 0.00 -0.16 -0.25 -0.63 0.41 0.00 0.00 173.24 172.61 2k1x s ILE 39 N -2.70 1.96 -0.11 1.44 1.09 0.86 -2.75 121.20 120.99 2k1x s ILE 39 Ca 0.18 -1.06 -0.01 0.00 -1.10 0.00 0.00 60.65 58.66 2k1x s ILE 39 Cb -0.02 -1.62 0.03 0.00 -1.06 0.00 0.00 42.46 39.78 2k1x s ILE 39 CO 0.05 0.55 -0.07 -0.75 -0.10 0.00 0.00 174.94 174.63 2k1x s LYS 40 N -0.59 1.43 -0.06 2.79 2.20 -0.99 -0.24 119.74 124.29 2k1x s LYS 40 Ca 0.10 -0.24 0.03 0.00 -0.36 0.00 0.00 55.97 55.49 2k1x s LYS 40 Cb -0.10 -1.57 -0.03 0.00 -1.51 0.00 0.00 37.83 34.63 2k1x s LYS 40 CO -0.01 -0.29 -0.14 0.54 -0.36 0.00 0.00 175.35 175.09 2k1x s VAL 41 N 1.73 3.07 -0.26 4.02 0.11 -1.22 -3.40 120.40 124.45 2k1x s VAL 41 Ca 0.05 -0.72 0.23 0.00 -2.93 0.00 0.00 61.98 58.60 2k1x s VAL 41 Cb -0.13 -2.21 0.50 0.00 -1.53 0.00 0.00 36.38 33.02 2k1x s VAL 41 CO -0.08 0.59 1.13 1.17 -3.33 0.00 0.00 175.10 174.58 2k1x n LYS 42 N 2.39 1.66 0.00 1.54 3.00 -1.26 -3.77 118.16 121.72 2k1x n LYS 42 Ca -0.17 -3.37 0.00 0.00 -0.00 0.00 0.00 58.31 54.77 2k1x n LYS 42 Cb 0.52 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 34.08 2k1x n LYS 42 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2k1x n SER 43 N -0.61 0.00 0.00 3.14 2.88 -1.26 -5.14 113.62 112.63 2k1x n SER 43 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2k1x n SER 43 Cb 0.81 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.27 2k1x n SER 43 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k1x n GLY 44 N 0.00 2.34 3.25 0.46 0.00 -1.26 -4.86 105.19 105.12 2k1x n GLY 44 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 0.08 0.45 2.61 -4.23 -1.25 -4.44 115.64 108.86 2k1x s THR 45 Ca 0.00 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.87 2k1x s THR 45 Cb 0.00 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 2k1x s THR 45 CO 0.00 -0.37 0.05 0.26 -0.54 0.00 0.00 174.62 174.03 2k1x s TRP 46 N -2.53 1.90 -0.07 3.99 0.51 -1.19 -4.33 118.94 117.22 2k1x s TRP 46 Ca -0.05 -1.05 0.03 0.00 -2.12 0.00 0.00 56.10 52.90 2k1x s TRP 46 Cb -0.01 -1.43 0.01 0.00 -0.81 0.00 0.00 33.47 31.23 2k1x s TRP 46 CO -0.03 0.04 -0.15 1.03 -0.51 0.00 0.00 176.95 177.32 2k1x s ARG 47 N -3.80 2.00 -0.15 4.98 3.00 -1.23 -2.37 118.95 121.38 2k1x s ARG 47 Ca 0.17 -0.54 -0.00 0.00 0.00 0.00 0.00 55.73 55.36 2k1x s ARG 47 Cb 0.03 -1.61 -0.01 0.00 0.00 0.00 0.00 34.95 33.36 2k1x s ARG 47 CO 0.09 0.09 -0.14 -0.06 0.00 0.00 0.00 175.30 175.29 2k1x s PHE 48 N 0.50 2.80 -0.03 -0.53 0.40 0.64 -2.75 117.98 119.02 2k1x s PHE 48 Ca -0.14 -0.91 -0.01 0.00 -0.60 0.00 0.00 56.93 55.27 2k1x s PHE 48 Cb -0.16 -1.89 0.03 0.00 0.51 0.00 0.00 43.02 41.51 2k1x s PHE 48 CO 0.05 -0.40 0.04 1.52 0.70 0.00 0.00 175.22 177.12 2k1x s TYR 49 N 0.73 0.05 -0.80 0.36 -0.85 -0.80 -1.14 117.35 114.91 2k1x s TYR 49 Ca -0.06 0.16 -0.11 0.00 -0.52 0.00 0.00 57.07 56.54 2k1x s TYR 49 Cb -0.15 -0.32 0.21 0.00 0.38 0.00 0.00 41.96 42.07 2k1x s TYR 49 CO 0.01 -0.12 0.71 -1.21 -1.52 0.00 0.00 175.55 173.42 2k1x s GLU 50 N 1.43 3.40 0.00 -3.49 8.01 -1.26 -1.06 118.70 125.73 2k1x s GLU 50 Ca -0.05 -2.53 0.00 0.00 0.01 0.00 0.00 54.97 52.41 2k1x s GLU 50 Cb -0.13 -4.28 0.00 0.00 -4.31 0.00 0.00 34.13 25.42 2k1x s GLU 50 CO -0.03 -1.26 0.00 0.66 0.01 0.00 0.00 175.26 174.64 2k1x n TYR 51 N 3.78 0.00 -0.58 1.61 4.01 0.85 -4.39 117.16 122.44 2k1x n TYR 51 Ca 0.13 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.59 2k1x n TYR 51 Cb 0.45 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.65 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 3.85 0.00 -1.30 -0.72 -6.64 -1.26 -4.09 119.36 109.21 2k1x n ILE 52 Ca 0.00 -0.20 -0.21 0.00 -1.77 0.00 0.00 62.75 60.57 2k1x n ILE 52 Cb 0.00 -0.61 -0.10 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 -1.97 6.00 0.00 7.28 4.13 -1.26 -3.72 115.26 125.71 2k1x n ASN 53 Ca 0.03 -2.91 0.00 0.00 1.68 0.00 0.00 54.58 53.38 2k1x n ASN 53 Cb 0.54 -1.31 0.00 0.00 -1.54 0.00 0.00 39.78 37.47 2k1x n ASN 53 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k1x n TYR 54 N 1.55 0.00 -2.24 3.10 0.18 -1.26 -5.16 117.16 113.34 2k1x n TYR 54 Ca 0.47 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.25 2k1x n TYR 54 Cb 0.70 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.66 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 -0.53 1.17 -7.48 0.00 -1.24 -5.18 105.19 91.93 2k1x n GLY 55 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.05 3.59 -0.02 0.00 -1.26 -4.61 105.19 100.83 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 -1.60 0.00 0.00 0.00 173.32 171.72 2k1x s ARG 57 N -0.13 3.62 -0.47 1.61 3.00 -1.26 -4.91 118.95 120.40 2k1x s ARG 57 Ca 0.00 0.38 -0.29 0.00 -1.00 0.00 0.00 55.73 54.82 2k1x s ARG 57 Cb 0.00 -3.95 0.02 0.00 0.00 0.00 0.00 34.95 31.02 2k1x s ARG 57 CO 0.00 -1.46 1.25 -0.47 0.00 0.00 0.00 175.30 174.62 2k1x s TYR 58 N 4.50 2.63 -0.20 5.12 5.04 -1.26 -3.97 117.35 129.20 2k1x s TYR 58 Ca 0.44 0.65 -0.04 0.00 -2.44 0.00 0.00 57.07 55.69 2k1x s TYR 58 Cb -0.08 -4.41 0.07 0.00 0.35 0.00 0.00 41.96 37.89 2k1x s TYR 58 CO 0.29 -1.57 0.08 -0.46 -1.34 0.00 0.00 175.55 172.54 2k1x s TRP 59 N 4.93 0.50 0.21 4.97 -0.00 -0.29 -4.99 118.94 124.26 2k1x s TRP 59 Ca 0.52 -0.60 -0.04 0.00 -0.00 0.00 0.00 56.10 55.98 2k1x s TRP 59 Cb -0.09 -0.86 -0.05 0.00 -0.00 0.00 0.00 33.47 32.47 2k1x s TRP 59 CO 0.31 -0.60 0.44 0.16 -0.00 0.00 0.00 176.95 177.26 2k1x s ASP 60 N 2.03 6.45 -0.05 5.86 -4.77 -1.26 -0.26 116.67 124.67 2k1x s ASP 60 Ca 0.03 0.57 0.04 0.00 -3.30 0.00 0.00 52.55 49.89 2k1x s ASP 60 Cb -0.16 -2.08 -0.02 0.00 -1.09 0.00 0.00 42.92 39.56 2k1x s ASP 60 CO -0.14 -0.05 -0.18 -1.48 0.70 0.00 0.00 175.17 174.02 2k1x s LEU 61 N -3.14 2.51 0.00 2.11 2.34 -1.00 -4.95 118.68 116.55 2k1x s LEU 61 Ca 0.41 -0.30 0.00 0.00 0.06 0.00 0.00 54.13 54.30 2k1x s LEU 61 Cb -0.11 -1.49 0.00 0.00 -0.56 0.00 0.00 46.19 44.03 2k1x s LEU 61 CO 0.27 0.31 0.01 0.61 -1.06 0.00 0.00 176.35 176.49 2k1x n GLY 62 N 2.53 3.20 3.52 -3.48 0.00 -1.26 -3.16 105.19 106.53 2k1x n GLY 62 Ca -0.17 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.28 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 -0.46 0.36 0.00 1.61 -0.02 -1.26 -4.71 135.00 130.53 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 0.01 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 6.33 2.43 3.90 -1.23 0.00 -1.25 -5.09 105.19 110.29 2k1x n GLY 64 Ca 0.56 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.02 3.47 0.09 1.61 2.12 -1.26 -3.42 118.70 119.28 2k1x s GLU 65 Ca 0.00 -0.28 0.05 0.00 0.36 0.00 0.00 54.97 55.10 2k1x s GLU 65 Cb 0.00 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.27 2k1x s GLU 65 CO 0.00 0.66 -0.14 -0.47 -0.54 0.00 0.00 175.26 174.77 2k1x s TYR 66 N -1.34 1.27 -0.47 5.30 5.04 0.67 -5.00 117.35 122.81 2k1x s TYR 66 Ca 0.28 -0.50 0.03 0.00 -2.44 0.00 0.00 57.07 54.44 2k1x s TYR 66 Cb -0.13 -0.70 0.12 0.00 0.35 0.00 0.00 41.96 41.61 2k1x s TYR 66 CO 0.19 0.08 0.21 0.45 -1.34 0.00 0.00 175.55 175.14 2k1x s SER 67 N -1.98 4.55 -0.84 4.32 0.15 -1.26 -0.09 113.70 118.55 2k1x s SER 67 Ca 0.02 -2.73 -0.22 0.00 0.70 0.00 0.00 55.95 53.71 2k1x s SER 67 Cb -0.08 -1.66 0.07 0.00 -1.71 0.00 0.00 66.02 62.64 2k1x s SER 67 CO 0.02 -0.30 1.19 -0.44 1.20 0.00 0.00 173.24 174.92 2k1x s SER 68 N 0.20 6.38 -0.06 5.45 0.01 0.12 -4.66 113.70 121.14 2k1x s SER 68 Ca 0.15 -1.31 0.13 0.00 1.31 0.00 0.00 55.95 56.24 2k1x s SER 68 Cb -0.23 -2.48 0.25 0.00 0.21 0.00 0.00 66.02 63.77 2k1x s SER 68 CO -0.03 -1.43 1.13 1.33 0.41 0.00 0.00 173.24 174.66 2k1x n VAL 69 N 6.14 0.12 -1.79 3.43 0.24 -1.26 -1.73 118.33 123.48 2k1x n VAL 69 Ca 0.15 -0.76 -0.03 0.00 -2.04 0.00 0.00 64.34 61.65 2k1x n VAL 69 Cb 0.49 0.82 -0.02 0.00 -1.47 0.00 0.00 33.84 33.65 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 -0.04 0.05 0.00 7.34 0.28 -1.26 -4.95 120.64 122.06 2k1x n GLU 70 Ca -0.11 -0.44 0.00 0.00 -0.16 0.00 0.00 57.16 56.45 2k1x n GLU 70 Cb 0.90 0.47 0.00 0.00 1.43 0.00 0.00 31.44 34.24 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 -0.06 -0.03 0.06 -1.84 7.64 -1.26 -4.96 113.62 113.17 2k1x n SER 71 Ca -0.12 0.11 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 2k1x n SER 71 Cb 0.46 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.52 -0.13 -0.43 0.00 -1.95 -3.19 119.26 114.08 2k1x h ALA 72 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 2k1x h ALA 72 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k1x h ALA 72 CO 0.00 0.80 0.01 0.78 0.00 0.00 0.00 179.25 180.84 2k1x h GLY 73 N 1.36 0.24 -6.75 0.00 0.00 -1.74 -3.34 103.07 92.83 2k1x h GLY 73 Ca -0.05 -0.17 -0.67 0.00 0.00 0.00 0.00 47.33 46.45 2k1x h GLY 73 CO 0.14 0.16 -0.20 0.29 0.00 0.00 0.00 176.54 176.92 2k1x n ILE 74 N -4.80 2.98 -0.02 2.60 -0.00 -1.23 -4.30 119.36 114.59 2k1x n ILE 74 Ca -0.06 -5.28 -0.13 0.00 -0.00 0.00 0.00 62.75 57.29 2k1x n ILE 74 Cb 0.19 -2.18 -0.09 0.00 -0.00 0.00 0.00 39.64 37.56 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 5.05 0.09 0.00 6.28 0.13 -1.69 -3.43 132.00 138.44 2k1x h PRO 75 Ca 0.18 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2k1x h PRO 75 Cb 0.70 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2k1x h PRO 75 CO 0.92 0.52 0.00 -3.47 -0.23 0.00 0.00 178.00 175.74 2k1x n ASP 76 N -4.80 -0.80 0.00 1.44 2.03 -1.26 -5.10 116.55 108.07 2k1x n ASP 76 Ca -0.08 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.69 2k1x n ASP 76 Cb 0.26 1.05 0.00 0.00 -0.72 0.00 0.00 41.12 41.71 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 -2.77 0.00 -2.77 1.67 4.13 -1.26 -4.60 115.26 109.66 2k1x n ASN 77 Ca 0.00 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.15 2k1x n ASN 77 Cb 0.00 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.26 2k1x n ASN 77 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2k1x n SER 78 N 0.00 1.17 -3.66 6.41 7.64 -1.26 -4.35 113.62 119.57 2k1x n SER 78 Ca 0.00 -2.77 -0.29 0.00 1.01 0.00 0.00 58.87 56.82 2k1x n SER 78 Cb 0.00 -0.47 -0.12 0.00 -1.01 0.00 0.00 64.21 62.61 2k1x n SER 78 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2k1x s ILE 79 N -2.84 1.38 -0.02 0.44 -0.00 -1.26 -4.80 121.20 114.10 2k1x s ILE 79 Ca 0.29 -2.87 -0.29 0.00 -0.00 0.00 0.00 60.65 57.79 2k1x s ILE 79 Cb 0.43 -1.95 0.09 0.00 -0.00 0.00 0.00 42.46 41.03 2k1x s ILE 79 CO 0.01 -1.00 0.77 -0.94 -0.00 0.00 0.00 174.94 173.78 2k1x s SER 80 N -0.03 -0.52 0.04 4.36 1.04 -1.26 -0.11 113.70 117.23 2k1x s SER 80 Ca 0.23 0.36 -0.27 0.00 0.48 0.00 0.00 55.95 56.74 2k1x s SER 80 Cb -0.14 0.47 0.09 0.00 0.10 0.00 0.00 66.02 66.55 2k1x s SER 80 CO -0.08 -0.64 0.83 -0.55 0.98 0.00 0.00 173.24 173.79 2k1x s SER 81 N -1.76 -0.40 -0.14 7.02 0.15 -0.23 -3.17 113.70 115.18 2k1x s SER 81 Ca -0.03 -0.03 -0.11 0.00 0.70 0.00 0.00 55.95 56.47 2k1x s SER 81 Cb -0.01 0.44 0.04 0.00 -1.71 0.00 0.00 66.02 64.79 2k1x s SER 81 CO -0.00 -0.72 0.37 0.72 1.20 0.00 0.00 173.24 174.80 2k1x s PHE 82 N -3.28 -0.46 -0.25 3.44 -0.71 -1.26 -1.90 117.98 113.57 2k1x s PHE 82 Ca 0.05 1.05 -0.19 0.00 -1.04 0.00 0.00 56.93 56.80 2k1x s PHE 82 Cb -0.01 0.17 -0.02 0.00 -1.21 0.00 0.00 43.02 41.94 2k1x s PHE 82 CO -0.09 -0.24 0.57 -0.98 -1.34 0.00 0.00 175.22 173.13 2k1x s ARG 83 N 0.69 4.10 -0.71 1.99 1.70 -1.11 -4.76 118.95 120.85 2k1x s ARG 83 Ca -0.04 0.43 -0.23 0.00 -0.47 0.00 0.00 55.73 55.42 2k1x s ARG 83 Cb -0.05 -3.64 0.07 0.00 -0.57 0.00 0.00 34.95 30.75 2k1x s ARG 83 CO -0.05 -0.36 1.04 -0.65 -1.08 0.00 0.00 175.30 174.20 2k1x s GLN 84 N 2.34 3.18 0.00 3.89 -0.21 -1.26 -3.52 119.66 124.07 2k1x s GLN 84 Ca 0.24 -0.84 0.03 0.00 0.02 0.00 0.00 55.36 54.81 2k1x s GLN 84 Cb -0.16 -4.32 0.03 0.00 1.00 0.00 0.00 33.01 29.56 2k1x s GLN 84 CO 0.09 -1.87 0.60 0.44 -2.12 0.00 0.00 175.29 172.43