#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 6.91 -0.71 7.83 0.01 -1.26 -5.03 114.94 122.69 2k1x s ASN 2 Ca 0.00 1.12 -0.23 0.00 -0.71 0.00 0.00 52.86 53.05 2k1x s ASN 2 Cb 0.00 -2.31 0.07 0.00 0.41 0.00 0.00 41.25 39.42 2k1x s ASN 2 CO 0.00 0.20 1.04 0.00 -1.51 0.00 0.00 177.10 176.83 2k1x s ALA 3 N -1.27 3.08 -0.30 0.60 0.00 -1.26 -4.51 121.76 118.10 2k1x s ALA 3 Ca 0.32 -1.90 -0.09 0.00 0.00 0.00 0.00 51.96 50.29 2k1x s ALA 3 Cb -0.17 -3.95 0.18 0.00 0.00 0.00 0.00 23.12 19.18 2k1x s ALA 3 CO 0.18 -2.89 0.90 0.00 0.00 0.00 0.00 175.76 173.95 2k1x s ALA 4 N 4.14 -3.11 -0.71 0.00 0.00 -1.26 -5.08 121.76 115.74 2k1x s ALA 4 Ca 0.26 1.52 -0.21 0.00 0.00 0.00 0.00 51.96 53.53 2k1x s ALA 4 Cb -0.14 -2.44 0.09 0.00 0.00 0.00 0.00 23.12 20.63 2k1x s ALA 4 CO 0.08 -1.49 0.98 -1.21 0.00 0.00 0.00 175.76 174.11 2k1x s GLU 5 N 2.92 3.21 -0.34 0.00 2.02 -1.26 -4.52 118.70 120.72 2k1x s GLU 5 Ca 0.08 -1.07 -0.12 0.00 0.02 0.00 0.00 54.97 53.87 2k1x s GLU 5 Cb -0.11 -4.38 -0.01 0.00 0.10 0.00 0.00 34.13 29.73 2k1x s GLU 5 CO -0.16 -1.79 0.23 0.08 0.02 0.00 0.00 175.26 173.65 2k1x s VAL 6 N 3.66 5.15 -0.29 2.63 1.01 -1.26 -4.68 120.40 126.62 2k1x s VAL 6 Ca 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 2k1x s VAL 6 Cb -0.15 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.60 2k1x s VAL 6 CO 0.06 -0.04 -0.02 -0.51 0.00 0.00 0.00 175.10 174.59 2k1x s ILE 7 N 1.69 2.88 0.04 2.22 2.07 -1.22 -4.24 121.20 124.63 2k1x s ILE 7 Ca 0.06 -1.38 0.05 0.00 -1.41 0.00 0.00 60.65 57.97 2k1x s ILE 7 Cb -0.18 -2.64 -0.02 0.00 0.13 0.00 0.00 42.46 39.76 2k1x s ILE 7 CO 0.10 -0.06 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.22 2k1x s VAL 8 N 1.24 1.23 -0.11 4.00 1.01 -1.13 -2.67 120.40 123.97 2k1x s VAL 8 Ca -0.05 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 2k1x s VAL 8 Cb -0.19 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 2k1x s VAL 8 CO -0.02 0.07 0.23 -0.31 0.00 0.00 0.00 175.10 175.07 2k1x s TYR 9 N -0.80 3.57 -0.56 5.22 1.51 -1.01 -3.04 117.35 122.25 2k1x s TYR 9 Ca 0.03 0.62 -0.02 0.00 -1.01 0.00 0.00 57.07 56.69 2k1x s TYR 9 Cb -0.08 -2.12 0.26 0.00 -0.11 0.00 0.00 41.96 39.91 2k1x s TYR 9 CO 0.01 0.56 2.23 -0.85 -1.11 0.00 0.00 175.55 176.39 2k1x n GLU 10 N 2.47 2.39 -3.33 -0.62 0.28 0.08 -3.89 120.64 118.03 2k1x n GLU 10 Ca -0.17 -2.63 0.00 0.00 -0.16 0.00 0.00 57.16 54.20 2k1x n GLU 10 Cb 0.53 -2.07 0.00 0.00 1.43 0.00 0.00 31.44 31.34 2k1x n GLU 10 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2k1x n HIS 11 N -0.03 0.00 -0.94 -1.84 8.25 -1.26 -4.53 115.22 114.87 2k1x n HIS 11 Ca 0.49 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.64 2k1x n HIS 11 Cb 0.52 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.77 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 -2.89 2.59 -0.74 1.59 1.01 -1.24 -3.23 120.40 117.49 2k1x s VAL 12 Ca 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 2k1x s VAL 12 Cb 0.00 -2.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.96 2k1x s VAL 12 CO 0.00 -0.25 2.85 -3.20 0.00 0.00 0.00 175.10 174.50 2k1x n ASN 13 N -3.96 6.94 -0.50 3.32 2.85 -1.26 -3.60 115.26 119.05 2k1x n ASN 13 Ca 0.10 -2.98 -0.01 0.00 -0.11 0.00 0.00 54.58 51.59 2k1x n ASN 13 Cb 0.53 -1.34 -0.01 0.00 1.24 0.00 0.00 39.78 40.20 2k1x n ASN 13 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 2k1x n PHE 14 N 1.73 0.00 0.00 1.20 -1.74 -1.26 -5.03 117.46 112.37 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 0.50 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 -0.37 3.28 4.97 0.00 -1.24 -5.18 105.19 106.65 2k1x n GLY 15 Ca -0.04 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.05 -0.02 0.00 -1.24 -4.67 107.32 102.76 2k1x s GLY 16 Ca 0.00 -1.62 -0.17 0.00 0.00 0.00 0.00 44.72 42.93 2k1x s GLY 16 CO 0.00 -1.28 0.46 1.25 0.00 0.00 0.00 173.10 173.53 2k1x s LYS 17 N -4.01 4.17 0.19 2.90 2.36 -1.26 -4.94 119.74 119.15 2k1x s LYS 17 Ca 0.36 0.47 0.11 0.00 -2.55 0.00 0.00 55.97 54.37 2k1x s LYS 17 Cb 0.05 -3.33 -0.04 0.00 -1.05 0.00 0.00 37.83 33.46 2k1x s LYS 17 CO 0.14 0.43 -0.20 -1.54 1.55 0.00 0.00 175.35 175.72 2k1x s SER 18 N -0.26 3.63 0.01 1.43 1.04 -1.26 -0.74 113.70 117.55 2k1x s SER 18 Ca 0.25 -0.80 -0.13 0.00 0.48 0.00 0.00 55.95 55.76 2k1x s SER 18 Cb -0.16 -0.37 0.02 0.00 0.10 0.00 0.00 66.02 65.61 2k1x s SER 18 CO 0.13 0.12 0.27 0.72 0.98 0.00 0.00 173.24 175.45 2k1x s PHE 19 N -1.69 -0.10 -0.37 5.02 -0.12 -1.17 -5.01 117.98 114.55 2k1x s PHE 19 Ca 0.22 0.06 0.04 0.00 -0.05 0.00 0.00 56.93 57.20 2k1x s PHE 19 Cb -0.08 0.06 0.19 0.00 -0.63 0.00 0.00 43.02 42.55 2k1x s PHE 19 CO 0.11 -0.41 0.71 0.34 -0.05 0.00 0.00 175.22 175.92 2k1x s ASP 20 N -1.64 -1.32 0.35 1.98 2.15 -1.26 -2.82 116.67 114.12 2k1x s ASP 20 Ca -0.10 -0.45 -0.03 0.00 0.43 0.00 0.00 52.55 52.40 2k1x s ASP 20 Cb -0.04 1.71 -0.04 0.00 -0.30 0.00 0.00 42.92 44.25 2k1x s ASP 20 CO 0.01 -0.17 0.60 0.00 -0.17 0.00 0.00 175.17 175.44 2k1x s ALA 21 N 2.13 3.60 -0.47 3.66 0.00 -1.26 -4.95 121.76 124.47 2k1x s ALA 21 Ca 0.15 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 2k1x s ALA 21 Cb -0.04 -2.29 0.31 0.00 0.00 0.00 0.00 23.12 21.10 2k1x s ALA 21 CO -0.13 0.01 2.03 2.41 0.00 0.00 0.00 175.76 180.08 2k1x n THR 22 N -1.56 3.14 0.00 0.00 -1.04 -1.26 -4.30 114.28 109.26 2k1x n THR 22 Ca -0.02 -2.19 0.00 0.00 -2.04 0.00 0.00 64.05 59.80 2k1x n THR 22 Cb 0.55 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 2k1x n THR 22 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2k1x n SER 23 N -0.18 0.00 -3.60 8.00 7.64 -1.26 -4.75 113.62 119.47 2k1x n SER 23 Ca 0.44 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.29 2k1x n SER 23 Cb 0.61 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.76 2k1x n SER 23 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k1x s ASP 24 N 1.33 -0.89 0.66 6.43 1.01 -1.26 -4.57 116.67 119.38 2k1x s ASP 24 Ca 0.00 1.30 -0.11 0.00 0.71 0.00 0.00 52.55 54.45 2k1x s ASP 24 Cb 0.00 1.78 -0.01 0.00 1.01 0.00 0.00 42.92 45.70 2k1x s ASP 24 CO 0.00 -0.19 1.06 -1.10 0.21 0.00 0.00 175.17 175.15 2k1x s GLN 25 N 2.26 3.22 0.22 8.23 1.11 -1.26 -4.99 119.66 128.45 2k1x s GLN 25 Ca -0.07 0.61 -0.04 0.00 0.01 0.00 0.00 55.36 55.87 2k1x s GLN 25 Cb -0.08 -2.05 0.05 0.00 -1.01 0.00 0.00 33.01 29.93 2k1x s GLN 25 CO -0.18 -0.81 0.22 -0.35 0.01 0.00 0.00 175.29 174.17 2k1x n PRO 26 N -2.88 -1.13 -3.07 2.91 -0.04 -1.26 -4.99 135.00 124.54 2k1x n PRO 26 Ca 0.06 -0.34 -0.39 0.00 -0.04 0.00 0.00 63.50 62.79 2k1x n PRO 26 Cb 0.56 -0.30 -0.06 0.00 -0.04 0.00 0.00 33.50 33.66 2k1x n PRO 26 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k1x s GLY 27 N -3.03 2.85 0.00 0.55 0.00 -1.26 -5.04 107.32 101.39 2k1x s GLY 27 Ca 0.14 0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.12 2k1x s GLY 27 CO 0.10 0.76 0.00 0.00 0.00 0.00 0.00 173.10 173.96 2k1x n ALA 28 N 1.67 0.00 0.00 3.20 0.00 -1.26 -5.04 120.51 119.09 2k1x n ALA 28 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k1x n ALA 28 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 5.00 0.61 0.00 0.00 0.00 -1.26 -4.83 105.19 104.71 2k1x n GLY 29 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.62 -3.04 1.61 -0.08 -1.26 -5.00 116.55 107.16 2k1x n ASP 30 Ca 0.00 -0.06 -0.13 0.00 -1.51 0.00 0.00 54.79 53.09 2k1x n ASP 30 Cb 0.00 0.00 0.12 0.00 2.34 0.00 0.00 41.12 43.58 2k1x n ASP 30 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2k1x n ASN 31 N -2.62 -2.42 0.00 1.67 4.13 -1.26 -4.89 115.26 109.87 2k1x n ASN 31 Ca 0.00 -0.52 0.00 0.00 1.68 0.00 0.00 54.58 55.74 2k1x n ASN 31 Cb 0.00 -0.42 0.00 0.00 -1.54 0.00 0.00 39.78 37.82 2k1x n ASN 31 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2k1x n LEU 32 N 0.00 0.00 -3.76 3.41 4.32 -1.26 -3.95 117.00 115.76 2k1x n LEU 32 Ca 0.06 0.15 -0.42 0.00 -0.02 0.00 0.00 56.01 55.78 2k1x n LEU 32 Cb 0.25 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.06 2k1x n LEU 32 CO 0.17 0.00 1.81 0.59 -1.22 0.00 0.00 177.39 178.74 2k1x n ASN 33 N -0.17 6.51 -2.31 -1.43 3.02 -0.84 -4.32 115.26 115.72 2k1x n ASN 33 Ca 0.00 -3.28 -0.02 0.00 -0.03 0.00 0.00 54.58 51.25 2k1x n ASN 33 Cb 0.00 -1.35 0.07 0.00 -0.61 0.00 0.00 39.78 37.89 2k1x n ASN 33 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2k1x n ASP 34 N 2.13 -1.03 -4.28 6.41 2.03 -1.25 -5.10 116.55 115.46 2k1x n ASP 34 Ca 0.43 -1.81 -0.42 0.00 0.52 0.00 0.00 54.79 53.51 2k1x n ASP 34 Cb 0.31 0.55 -0.08 0.00 -0.72 0.00 0.00 41.12 41.18 2k1x n ASP 34 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2k1x s LYS 35 N 0.09 2.71 -0.27 -0.67 2.47 -1.26 -4.25 119.74 118.55 2k1x s LYS 35 Ca 0.07 -1.61 -0.00 0.00 -1.56 0.00 0.00 55.97 52.87 2k1x s LYS 35 Cb 0.26 -4.01 0.16 0.00 -1.46 0.00 0.00 37.83 32.78 2k1x s LYS 35 CO -0.07 -1.14 0.46 0.96 0.16 0.00 0.00 175.35 175.72 2k1x s ILE 36 N 1.48 -0.75 0.00 5.43 -4.36 -1.26 -4.88 121.20 116.85 2k1x s ILE 36 Ca 0.04 -0.11 0.00 0.00 -0.26 0.00 0.00 60.65 60.32 2k1x s ILE 36 Cb -0.26 -0.93 0.00 0.00 1.25 0.00 0.00 42.46 42.52 2k1x s ILE 36 CO 0.02 -0.13 0.00 -1.54 0.24 0.00 0.00 174.94 173.53 2k1x n SER 37 N 5.38 0.00 -4.20 4.36 3.41 -1.25 -3.60 113.62 117.73 2k1x n SER 37 Ca -0.01 -0.84 -0.18 0.00 -0.26 0.00 0.00 58.87 57.58 2k1x n SER 37 Cb 0.51 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.59 1.77 0.00 4.04 0.01 -1.20 -3.48 113.70 114.25 2k1x s SER 38 Ca 0.00 -0.71 0.08 0.00 1.31 0.00 0.00 55.95 56.63 2k1x s SER 38 Cb 0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 2k1x s SER 38 CO 0.00 -0.12 -0.23 -0.63 0.41 0.00 0.00 173.24 172.67 2k1x s ILE 39 N -1.71 1.86 -0.02 1.44 1.09 0.27 -2.42 121.20 121.72 2k1x s ILE 39 Ca 0.03 -1.09 -0.01 0.00 -1.10 0.00 0.00 60.65 58.47 2k1x s ILE 39 Cb -0.07 -1.56 0.02 0.00 -1.06 0.00 0.00 42.46 39.78 2k1x s ILE 39 CO 0.02 0.44 0.05 -0.75 -0.10 0.00 0.00 174.94 174.60 2k1x s LYS 40 N -0.77 0.02 -0.28 2.79 2.20 -1.09 -1.24 119.74 121.38 2k1x s LYS 40 Ca 0.09 0.13 -0.24 0.00 -0.36 0.00 0.00 55.97 55.59 2k1x s LYS 40 Cb -0.09 -0.09 0.09 0.00 -1.51 0.00 0.00 37.83 36.23 2k1x s LYS 40 CO 0.00 -0.08 0.83 0.54 -0.36 0.00 0.00 175.35 176.28 2k1x s VAL 41 N 0.50 0.00 -0.29 4.02 0.11 -1.22 -3.42 120.40 120.09 2k1x s VAL 41 Ca -0.04 0.00 0.12 0.00 -2.93 0.00 0.00 61.98 59.13 2k1x s VAL 41 Cb -0.06 -1.00 0.47 0.00 -1.53 0.00 0.00 36.38 34.27 2k1x s VAL 41 CO -0.02 0.00 1.15 1.17 -3.33 0.00 0.00 175.10 174.08 2k1x n LYS 42 N 2.64 2.93 0.00 1.54 3.00 -1.26 -1.93 118.16 125.08 2k1x n LYS 42 Ca -0.14 -3.95 0.00 0.00 -0.00 0.00 0.00 58.31 54.23 2k1x n LYS 42 Cb 0.56 -2.03 0.00 0.00 0.00 0.00 0.00 35.03 33.55 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 -0.65 0.00 -1.29 3.14 2.88 -1.26 -5.03 113.62 111.42 2k1x n SER 43 Ca 0.31 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 58.00 2k1x n SER 43 Cb 0.90 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.32 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 -0.05 -1.59 3.12 0.46 0.00 -1.26 -4.90 105.19 100.97 2k1x n GLY 44 Ca 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.70 0.06 0.48 2.61 -4.23 -1.25 -4.29 115.64 107.32 2k1x s THR 45 Ca 0.00 -0.51 0.04 0.00 -1.18 0.00 0.00 61.69 60.05 2k1x s THR 45 Cb 0.00 -0.42 -0.02 0.00 1.34 0.00 0.00 72.50 73.40 2k1x s THR 45 CO 0.00 -0.28 0.11 0.26 -0.54 0.00 0.00 174.62 174.17 2k1x s TRP 46 N -1.04 2.07 -0.20 3.99 0.51 -1.13 -4.45 118.94 118.69 2k1x s TRP 46 Ca -0.11 -0.82 -0.00 0.00 -2.12 0.00 0.00 56.10 53.05 2k1x s TRP 46 Cb -0.06 -1.76 0.02 0.00 -0.81 0.00 0.00 33.47 30.86 2k1x s TRP 46 CO 0.02 0.13 -0.15 1.03 -0.51 0.00 0.00 176.95 177.47 2k1x s ARG 47 N -3.93 3.02 -0.19 4.98 3.00 -1.24 -2.10 118.95 122.48 2k1x s ARG 47 Ca 0.23 -0.83 -0.05 0.00 0.00 0.00 0.00 55.73 55.07 2k1x s ARG 47 Cb 0.03 -2.73 -0.03 0.00 0.00 0.00 0.00 34.95 32.22 2k1x s ARG 47 CO 0.13 -0.25 0.01 -0.06 0.00 0.00 0.00 175.30 175.13 2k1x s PHE 48 N 1.33 3.07 -0.03 -0.53 0.08 -0.04 -2.90 117.98 118.95 2k1x s PHE 48 Ca 0.04 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.74 2k1x s PHE 48 Cb -0.14 -2.08 0.03 0.00 -0.57 0.00 0.00 43.02 40.26 2k1x s PHE 48 CO -0.09 -0.15 0.05 1.52 -0.10 0.00 0.00 175.22 176.44 2k1x s TYR 49 N 0.85 0.03 -0.86 0.36 -0.85 -0.79 -1.51 117.35 114.58 2k1x s TYR 49 Ca 0.01 0.19 -0.14 0.00 -0.52 0.00 0.00 57.07 56.62 2k1x s TYR 49 Cb -0.14 -0.31 0.22 0.00 0.38 0.00 0.00 41.96 42.11 2k1x s TYR 49 CO 0.02 -0.13 0.83 -2.00 -1.52 0.00 0.00 175.55 172.75 2k1x s GLU 50 N 1.45 3.66 0.00 -3.49 -6.30 -1.26 -1.18 118.70 111.58 2k1x s GLU 50 Ca -0.04 -2.49 0.00 0.00 -2.50 0.00 0.00 54.97 49.94 2k1x s GLU 50 Cb -0.13 -4.48 0.00 0.00 0.00 0.00 0.00 34.13 29.53 2k1x s GLU 50 CO -0.03 -1.32 0.00 0.66 0.02 0.00 0.00 175.26 174.59 2k1x n TYR 51 N 4.03 0.00 -0.70 5.30 4.01 -1.18 -4.39 117.16 124.24 2k1x n TYR 51 Ca 0.16 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.58 2k1x n TYR 51 Cb 0.46 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.66 2k1x n TYR 51 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 2k1x n ILE 52 N 0.45 0.00 -0.96 -0.72 3.06 -1.26 -4.40 119.36 115.52 2k1x n ILE 52 Ca 0.00 -0.21 -0.23 0.00 -2.50 0.00 0.00 62.75 59.81 2k1x n ILE 52 Cb 0.00 -0.75 -0.07 0.00 0.54 0.00 0.00 39.64 39.36 2k1x n ILE 52 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2k1x n ASN 53 N -2.51 5.96 0.00 9.51 4.13 -1.26 -3.04 115.26 128.05 2k1x n ASN 53 Ca 0.06 -2.40 0.00 0.00 1.68 0.00 0.00 54.58 53.92 2k1x n ASN 53 Cb 0.55 -1.28 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 2k1x n ASN 53 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2k1x n TYR 54 N 3.32 0.00 -0.72 3.10 4.01 -1.26 -5.16 117.16 120.46 2k1x n TYR 54 Ca 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.26 2k1x n TYR 54 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 2k1x n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2k1x n GLY 55 N -0.45 4.97 0.00 2.72 0.00 -1.17 -5.17 105.19 106.10 2k1x n GLY 55 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.97 3.54 -0.02 0.00 -1.26 -4.52 105.19 101.96 2k1x n GLY 56 Ca 0.00 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.05 3.38 -0.54 1.61 3.00 -1.26 -4.94 118.95 120.15 2k1x s ARG 57 Ca 0.00 -0.09 -0.28 0.00 -1.00 0.00 0.00 55.73 54.36 2k1x s ARG 57 Cb 0.00 -4.05 0.02 0.00 0.00 0.00 0.00 34.95 30.92 2k1x s ARG 57 CO 0.00 -1.61 1.29 -0.47 0.00 0.00 0.00 175.30 174.50 2k1x s TYR 58 N 4.44 2.50 -0.20 5.12 5.04 -1.26 -4.00 117.35 129.00 2k1x s TYR 58 Ca 0.35 0.51 -0.04 0.00 -2.44 0.00 0.00 57.07 55.45 2k1x s TYR 58 Cb -0.10 -4.44 0.07 0.00 0.35 0.00 0.00 41.96 37.83 2k1x s TYR 58 CO 0.21 -1.72 0.08 -0.46 -1.34 0.00 0.00 175.55 172.32 2k1x s TRP 59 N 5.31 0.51 -0.06 4.97 -0.00 -0.57 -5.01 118.94 124.09 2k1x s TRP 59 Ca 0.49 -0.60 -0.16 0.00 -0.00 0.00 0.00 56.10 55.83 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 0.27 -0.59 0.43 0.16 -0.00 0.00 0.00 176.95 177.22 2k1x s ASP 60 N 2.03 6.74 -0.10 5.86 1.47 -1.26 -0.86 116.67 130.55 2k1x s ASP 60 Ca 0.02 0.87 -0.08 0.00 1.18 0.00 0.00 52.55 54.55 2k1x s ASP 60 Cb -0.16 -2.26 -0.04 0.00 -0.34 0.00 0.00 42.92 40.11 2k1x s ASP 60 CO -0.13 0.17 0.17 -1.48 0.68 0.00 0.00 175.17 174.59 2k1x s LEU 61 N -0.26 4.40 0.00 2.11 0.05 -0.89 -4.95 118.68 119.14 2k1x s LEU 61 Ca 0.24 0.52 0.00 0.00 0.05 0.00 0.00 54.13 54.94 2k1x s LEU 61 Cb -0.16 -2.17 0.00 0.00 -2.05 0.00 0.00 46.19 41.82 2k1x s LEU 61 CO 0.11 0.39 0.00 0.61 -0.55 0.00 0.00 176.35 176.91 2k1x n GLY 62 N 1.89 4.04 3.56 -3.48 0.00 -1.26 -2.83 105.19 107.12 2k1x n GLY 62 Ca -0.19 -2.02 -0.18 0.00 0.00 0.00 0.00 46.02 43.63 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 2.34 1.84 -0.18 1.61 0.04 -1.26 -4.76 135.00 134.62 2k1x s PRO 63 Ca 0.00 0.05 -0.35 0.00 0.04 0.00 0.00 61.00 60.74 2k1x s PRO 63 Cb 0.00 -4.91 0.14 0.00 0.04 0.00 0.00 34.50 29.76 2k1x s PRO 63 CO 0.00 -4.30 1.22 0.20 0.04 0.00 0.00 177.00 174.16 2k1x s GLY 64 N 9.53 -0.30 -0.06 0.56 0.00 -0.81 -4.96 107.32 111.28 2k1x s GLY 64 Ca 0.84 1.56 0.05 0.00 0.00 0.00 0.00 44.72 47.17 2k1x s GLY 64 CO 0.07 0.51 -0.22 1.85 0.00 0.00 0.00 173.10 175.31 2k1x s GLU 65 N -2.41 2.61 0.07 2.90 -6.30 -1.26 -3.44 118.70 110.87 2k1x s GLU 65 Ca 0.10 -0.86 -0.05 0.00 -2.50 0.00 0.00 54.97 51.66 2k1x s GLU 65 Cb -0.01 -2.23 -0.02 0.00 0.00 0.00 0.00 34.13 31.87 2k1x s GLU 65 CO -0.05 0.40 0.08 1.52 0.02 0.00 0.00 175.26 177.24 2k1x s TYR 66 N -0.20 0.34 -0.41 5.30 -0.85 -0.37 -5.00 117.35 116.16 2k1x s TYR 66 Ca -0.02 -0.83 0.05 0.00 -0.52 0.00 0.00 57.07 55.75 2k1x s TYR 66 Cb -0.13 -0.23 0.19 0.00 0.38 0.00 0.00 41.96 42.17 2k1x s TYR 66 CO 0.03 -0.46 0.40 -1.13 -1.52 0.00 0.00 175.55 172.87 2k1x n SER 67 N 0.02 -0.54 -4.86 -0.18 3.41 -1.26 -0.56 113.62 109.65 2k1x n SER 67 Ca -0.14 -2.46 -0.33 0.00 -0.26 0.00 0.00 58.87 55.67 2k1x n SER 67 Cb 0.62 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 2k1x n SER 67 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k1x s SER 68 N -0.15 6.75 0.00 4.04 0.01 -1.23 -4.94 113.70 118.18 2k1x s SER 68 Ca 0.33 1.12 0.05 0.00 1.31 0.00 0.00 55.95 58.76 2k1x s SER 68 Cb 0.06 -2.31 0.08 0.00 0.21 0.00 0.00 66.02 64.07 2k1x s SER 68 CO -0.18 -0.09 0.87 1.33 0.41 0.00 0.00 173.24 175.59 2k1x n VAL 69 N -0.02 0.00 -2.12 3.43 0.24 -1.26 -3.76 118.33 114.84 2k1x n VAL 69 Ca 0.01 -0.19 -0.00 0.00 -2.04 0.00 0.00 64.34 62.12 2k1x n VAL 69 Cb 0.52 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 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 0.09 0.02 0.00 7.34 0.28 -1.26 -4.98 120.64 122.14 2k1x n GLU 70 Ca -0.05 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 2k1x n GLU 70 Cb 0.72 0.20 0.00 0.00 1.43 0.00 0.00 31.44 33.79 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 -0.29 -1.84 2.88 -1.26 -4.95 113.62 108.14 2k1x n SER 71 Ca -0.01 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 2k1x n SER 71 Cb 0.41 0.16 0.23 0.00 -0.75 0.00 0.00 64.21 64.26 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 1.25 0.00 -1.46 0.00 -1.95 -3.43 119.26 113.68 2k1x h ALA 72 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2k1x h ALA 72 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k1x h ALA 72 CO 0.00 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.52 2k1x n GLY 73 N -1.33 -0.91 2.31 0.00 0.00 -1.26 -5.02 105.19 98.98 2k1x n GLY 73 Ca 0.17 0.79 -0.25 0.00 0.00 0.00 0.00 46.02 46.73 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 0.66 -0.02 -0.61 2.08 -1.26 -4.93 119.36 115.29 2k1x n ILE 74 Ca 0.00 -4.57 -0.00 0.00 0.56 0.00 0.00 62.75 58.74 2k1x n ILE 74 Cb 0.00 -1.92 -0.00 0.00 -0.75 0.00 0.00 39.64 36.97 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 3.99 0.00 0.00 0.38 0.13 -1.99 -3.50 132.00 131.01 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 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2k1x h PRO 75 CO 0.62 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.14 2k1x n ASP 76 N -3.04 0.00 -2.72 1.44 8.00 -1.26 -5.07 116.55 113.90 2k1x n ASP 76 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2k1x n ASP 76 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 2k1x n ASP 76 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2k1x n ASN 77 N -1.11 -1.36 -3.59 -2.24 5.15 -1.26 -1.98 115.26 108.86 2k1x n ASN 77 Ca 0.00 -0.30 -0.25 0.00 -0.60 0.00 0.00 54.58 53.44 2k1x n ASN 77 Cb 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.09 2k1x n ASN 77 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2k1x s SER 78 N -1.70 2.16 0.00 1.20 0.15 -1.26 -4.58 113.70 109.67 2k1x s SER 78 Ca 0.00 -0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.14 2k1x s SER 78 Cb 0.00 -0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.22 2k1x s SER 78 CO 0.00 -0.35 0.78 2.30 1.20 0.00 0.00 173.24 177.18 2k1x n ILE 79 N 5.29 0.00 -1.86 6.45 -5.35 -1.26 -4.94 119.36 117.69 2k1x n ILE 79 Ca -0.07 -0.10 -0.31 0.00 -0.27 0.00 0.00 62.75 62.01 2k1x n ILE 79 Cb 0.49 0.32 0.02 0.00 -1.74 0.00 0.00 39.64 38.72 2k1x n ILE 79 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2k1x s SER 80 N -0.63 6.10 -0.02 7.28 1.04 -1.26 -3.08 113.70 123.12 2k1x s SER 80 Ca 0.03 1.39 -0.28 0.00 0.48 0.00 0.00 55.95 57.57 2k1x s SER 80 Cb 0.04 -2.41 0.10 0.00 0.10 0.00 0.00 66.02 63.85 2k1x s SER 80 CO -0.02 -0.95 0.84 -0.55 0.98 0.00 0.00 173.24 173.55 2k1x s SER 81 N -4.18 -0.43 -0.12 7.02 0.15 -0.33 -4.69 113.70 111.12 2k1x s SER 81 Ca 0.56 0.17 -0.10 0.00 0.70 0.00 0.00 55.95 57.28 2k1x s SER 81 Cb -0.11 0.42 0.03 0.00 -1.71 0.00 0.00 66.02 64.65 2k1x s SER 81 CO 0.54 -0.61 0.31 0.72 1.20 0.00 0.00 173.24 175.40 2k1x s PHE 82 N -2.56 -0.36 -0.26 3.44 -0.71 -1.26 -1.88 117.98 114.40 2k1x s PHE 82 Ca 0.01 0.86 -0.16 0.00 -1.04 0.00 0.00 56.93 56.59 2k1x s PHE 82 Cb -0.01 0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.89 2k1x s PHE 82 CO -0.05 -0.18 0.44 1.03 -1.34 0.00 0.00 175.22 175.12 2k1x s ARG 83 N 0.35 4.06 -0.44 1.99 1.81 -1.14 -4.85 118.95 120.72 2k1x s ARG 83 Ca -0.02 0.19 -0.29 0.00 -1.72 0.00 0.00 55.73 53.90 2k1x s ARG 83 Cb -0.03 -3.64 0.02 0.00 -0.45 0.00 0.00 34.95 30.85 2k1x s ARG 83 CO -0.01 -0.29 1.17 -0.65 -0.68 0.00 0.00 175.30 174.84 2k1x s GLN 84 N 2.10 3.76 0.00 3.54 -0.21 -1.26 -3.66 119.66 123.92 2k1x s GLN 84 Ca 0.18 0.70 0.00 0.00 0.02 0.00 0.00 55.36 56.26 2k1x s GLN 84 Cb -0.16 -3.90 0.00 0.00 1.00 0.00 0.00 33.01 29.96 2k1x s GLN 84 CO 0.09 -1.34 0.26 0.44 -2.12 0.00 0.00 175.29 172.63