#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 2.36 -0.45 7.83 -0.87 -1.26 -5.13 114.94 117.41 2k1x s ASN 2 Ca 0.00 -1.71 0.07 0.00 -1.57 0.00 0.00 52.86 49.65 2k1x s ASN 2 Cb 0.00 0.54 0.18 0.00 -0.02 0.00 0.00 41.25 41.95 2k1x s ASN 2 CO 0.00 -0.99 0.63 0.00 -2.57 0.00 0.00 177.10 174.17 2k1x s ALA 3 N -3.31 -1.89 -0.30 0.60 0.00 -1.26 -5.12 121.76 110.48 2k1x s ALA 3 Ca 0.30 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 51.83 2k1x s ALA 3 Cb 0.02 -2.61 0.15 0.00 0.00 0.00 0.00 23.12 20.69 2k1x s ALA 3 CO 0.19 -2.21 0.89 0.00 0.00 0.00 0.00 175.76 174.63 2k1x s ALA 4 N 1.32 -2.44 -0.71 0.00 0.00 -1.26 -5.03 121.76 113.65 2k1x s ALA 4 Ca 0.23 2.17 -0.22 0.00 0.00 0.00 0.00 51.96 54.14 2k1x s ALA 4 Cb -0.03 -1.90 0.08 0.00 0.00 0.00 0.00 23.12 21.27 2k1x s ALA 4 CO -0.06 -0.82 0.98 -1.21 0.00 0.00 0.00 175.76 174.64 2k1x s GLU 5 N 2.33 3.20 -0.28 0.00 8.01 -1.26 -4.57 118.70 126.13 2k1x s GLU 5 Ca -0.05 -1.05 -0.10 0.00 0.01 0.00 0.00 54.97 53.79 2k1x s GLU 5 Cb -0.07 -4.37 -0.04 0.00 -4.31 0.00 0.00 34.13 25.34 2k1x s GLU 5 CO -0.18 -1.79 0.16 0.08 0.01 0.00 0.00 175.26 173.54 2k1x s VAL 6 N 3.71 4.98 -0.26 2.63 1.01 -1.26 -4.00 120.40 127.20 2k1x s VAL 6 Ca 0.23 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.25 2k1x s VAL 6 Cb -0.15 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 32.91 2k1x s VAL 6 CO 0.06 0.25 -0.09 -0.51 0.00 0.00 0.00 175.10 174.80 2k1x s ILE 7 N 1.71 2.07 0.00 2.22 2.07 -1.23 -2.96 121.20 125.08 2k1x s ILE 7 Ca 0.07 -1.60 0.06 0.00 -1.41 0.00 0.00 60.65 57.76 2k1x s ILE 7 Cb -0.16 -2.22 -0.02 0.00 0.13 0.00 0.00 42.46 40.20 2k1x s ILE 7 CO 0.09 -0.07 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.18 2k1x s VAL 8 N 1.14 1.42 -0.11 4.00 1.01 -1.21 -2.67 120.40 123.98 2k1x s VAL 8 Ca -0.08 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 2k1x s VAL 8 Cb -0.20 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 2k1x s VAL 8 CO -0.05 0.33 0.30 -0.31 0.00 0.00 0.00 175.10 175.36 2k1x s TYR 9 N -0.52 3.56 -0.54 5.22 1.51 -1.04 -3.04 117.35 122.51 2k1x s TYR 9 Ca 0.06 0.69 -0.02 0.00 -1.01 0.00 0.00 57.07 56.80 2k1x s TYR 9 Cb -0.07 -2.26 0.26 0.00 -0.11 0.00 0.00 41.96 39.78 2k1x s TYR 9 CO -0.00 0.44 2.22 -1.91 -1.11 0.00 0.00 175.55 175.19 2k1x n GLU 10 N 2.81 2.35 -3.26 -0.62 2.13 0.10 -3.83 120.64 120.32 2k1x n GLU 10 Ca -0.14 -2.55 0.00 0.00 0.66 0.00 0.00 57.16 55.13 2k1x n GLU 10 Cb 0.53 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.20 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 -0.00 0.00 -0.90 4.31 8.25 -1.26 -4.54 115.22 121.07 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 0.53 0.00 0.14 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 -2.97 2.51 -0.68 1.59 1.01 -1.26 -3.26 120.40 117.35 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 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.96 2k1x s VAL 12 CO 0.00 -0.22 3.00 -3.20 0.00 0.00 0.00 175.10 174.69 2k1x n ASN 13 N -4.01 6.78 -0.50 3.32 5.15 -1.26 -3.37 115.26 121.38 2k1x n ASN 13 Ca 0.10 -2.86 -0.01 0.00 -0.60 0.00 0.00 54.58 51.22 2k1x n ASN 13 Cb 0.53 -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 2.01 0.00 0.00 1.20 -1.74 -1.26 -5.01 117.46 112.65 2k1x n PHE 14 Ca 0.55 -0.05 0.00 0.00 -0.56 0.00 0.00 57.45 57.38 2k1x n PHE 14 Cb 0.55 0.27 0.00 0.00 1.52 0.00 0.00 39.48 41.82 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 3.32 4.97 0.00 -1.23 -5.18 105.19 107.07 2k1x n GLY 15 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 1.83 0.36 -0.02 0.00 -1.22 -4.69 107.32 103.59 2k1x s GLY 16 Ca 0.00 -1.81 0.02 0.00 0.00 0.00 0.00 44.72 42.92 2k1x s GLY 16 CO 0.00 -1.59 0.55 -1.59 0.00 0.00 0.00 173.10 170.47 2k1x s LYS 17 N -3.97 3.31 0.05 2.90 0.00 -1.26 -4.90 119.74 115.86 2k1x s LYS 17 Ca 0.37 -0.52 -0.15 0.00 0.00 0.00 0.00 55.97 55.67 2k1x s LYS 17 Cb 0.07 -2.68 0.03 0.00 0.00 0.00 0.00 37.83 35.24 2k1x s LYS 17 CO 0.15 0.05 0.34 -1.54 0.00 0.00 0.00 175.35 174.35 2k1x s SER 18 N -4.10 -0.17 -0.01 0.03 1.04 -1.26 0.03 113.70 109.25 2k1x s SER 18 Ca 0.42 -0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.71 2k1x s SER 18 Cb -0.10 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.42 2k1x s SER 18 CO 0.35 -0.65 -0.04 0.72 0.98 0.00 0.00 173.24 174.60 2k1x s PHE 19 N -2.65 0.45 -0.81 5.02 -0.71 -1.17 -5.00 117.98 113.10 2k1x s PHE 19 Ca -0.04 -0.08 0.02 0.00 -1.04 0.00 0.00 56.93 55.79 2k1x s PHE 19 Cb -0.00 -0.35 0.29 0.00 -1.21 0.00 0.00 43.02 41.74 2k1x s PHE 19 CO -0.04 -0.05 1.11 -0.40 -1.34 0.00 0.00 175.22 174.49 2k1x n ASP 20 N 3.33 5.05 -3.92 1.98 5.68 -1.26 -3.36 116.55 124.05 2k1x n ASP 20 Ca -0.17 -3.49 -0.09 0.00 -0.50 0.00 0.00 54.79 50.54 2k1x n ASP 20 Cb 0.56 -0.90 -0.05 0.00 -1.14 0.00 0.00 41.12 39.59 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 -2.87 -0.37 -0.28 2.12 0.00 -1.15 -4.81 121.76 114.40 2k1x s ALA 21 Ca 0.38 -0.70 0.20 0.00 0.00 0.00 0.00 51.96 51.84 2k1x s ALA 21 Cb 0.13 0.95 0.48 0.00 0.00 0.00 0.00 23.12 24.69 2k1x s ALA 21 CO 0.01 -0.78 1.21 2.41 0.00 0.00 0.00 175.76 178.60 2k1x n THR 22 N -0.32 0.94 -2.24 0.00 -1.04 -1.26 -4.47 114.28 105.88 2k1x n THR 22 Ca -0.05 -2.46 -0.01 0.00 -2.04 0.00 0.00 64.05 59.48 2k1x n THR 22 Cb 0.62 1.20 0.02 0.00 -1.82 0.00 0.00 70.33 70.35 2k1x n THR 22 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2k1x n SER 23 N -0.79 -0.50 0.00 8.00 2.88 -1.26 -4.99 113.62 116.96 2k1x n SER 23 Ca 0.01 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 2k1x n SER 23 Cb 0.82 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 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 -0.38 0.00 -4.89 -3.46 2.03 -1.26 -5.14 116.55 103.45 2k1x n ASP 24 Ca -0.08 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.94 2k1x n ASP 24 Cb 0.56 0.16 0.02 0.00 -0.72 0.00 0.00 41.12 41.15 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 -1.42 3.24 0.37 -0.67 1.11 -1.26 -5.08 119.66 115.95 2k1x s GLN 25 Ca 0.00 0.38 -0.06 0.00 0.01 0.00 0.00 55.36 55.69 2k1x s GLN 25 Cb 0.00 -2.17 0.09 0.00 -1.01 0.00 0.00 33.01 29.92 2k1x s GLN 25 CO 0.00 -0.64 0.38 -0.35 0.01 0.00 0.00 175.29 174.69 2k1x n PRO 26 N -2.67 -1.28 0.00 2.91 -0.04 -1.26 -5.01 135.00 127.66 2k1x n PRO 26 Ca 0.05 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 2k1x n PRO 26 Cb 0.56 -0.50 0.00 0.00 -0.04 0.00 0.00 33.50 33.52 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 0.81 1.40 3.27 0.55 0.00 -1.26 -5.09 105.19 104.86 2k1x n GLY 27 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2k1x n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1x s ALA 28 N -4.00 -0.69 0.16 4.61 0.00 -1.26 -4.98 121.76 115.60 2k1x s ALA 28 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2k1x s ALA 28 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.63 2k1x s ALA 28 CO 0.00 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2k1x n GLY 29 N 0.09 -4.29 0.85 0.00 0.00 -1.26 -4.72 105.19 95.86 2k1x n GLY 29 Ca -0.17 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.20 2k1x n GLY 29 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k1x n ASP 30 N 0.32 -0.11 -0.99 1.61 5.68 -1.26 -5.04 116.55 116.76 2k1x n ASP 30 Ca 0.00 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 2k1x n ASP 30 Cb 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 2k1x n ASP 30 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2k1x n ASN 31 N 0.10 0.00 -4.43 -1.12 6.94 -1.26 -5.09 115.26 110.39 2k1x n ASN 31 Ca -0.07 -0.99 -0.31 0.00 -0.02 0.00 0.00 54.58 53.19 2k1x n ASN 31 Cb 0.73 0.00 0.19 0.00 -2.36 0.00 0.00 39.78 38.34 2k1x n ASN 31 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2k1x n LEU 32 N 0.00 -0.74 -4.56 -4.53 7.94 -1.26 -3.71 117.00 110.13 2k1x n LEU 32 Ca 0.00 0.03 -0.25 0.00 -1.11 0.00 0.00 56.01 54.68 2k1x n LEU 32 Cb 0.00 -1.19 -0.06 0.00 0.53 0.00 0.00 43.42 42.70 2k1x n LEU 32 CO 0.00 -3.12 1.34 0.54 -1.11 0.00 0.00 177.39 175.05 2k1x s ASN 33 N -2.19 4.87 -0.33 1.96 4.22 -1.26 -4.66 114.94 117.54 2k1x s ASN 33 Ca 0.62 -0.79 -0.09 0.00 -2.14 0.00 0.00 52.86 50.46 2k1x s ASN 33 Cb -0.20 -2.57 0.19 0.00 1.28 0.00 0.00 41.25 39.96 2k1x s ASN 33 CO 0.65 -3.07 1.06 -0.62 -2.04 0.00 0.00 177.10 173.09 2k1x s ASP 34 N 8.14 -0.30 0.27 3.54 2.15 -1.26 -4.93 116.67 124.28 2k1x s ASP 34 Ca 0.73 -0.19 0.03 0.00 0.43 0.00 0.00 52.55 53.55 2k1x s ASP 34 Cb -0.06 0.39 -0.06 0.00 -0.30 0.00 0.00 42.92 42.89 2k1x s ASP 34 CO 0.04 -0.03 0.04 -1.59 -0.17 0.00 0.00 175.17 173.46 2k1x s LYS 35 N 1.78 1.47 -0.30 4.34 0.00 -1.26 -5.06 119.74 120.71 2k1x s LYS 35 Ca 0.16 -1.78 -0.07 0.00 0.00 0.00 0.00 55.97 54.28 2k1x s LYS 35 Cb 0.05 -0.64 0.16 0.00 0.00 0.00 0.00 37.83 37.40 2k1x s LYS 35 CO -0.14 -0.17 0.70 -1.50 0.00 0.00 0.00 175.35 174.23 2k1x s ILE 36 N -3.44 -0.90 0.00 3.79 2.07 -1.26 -4.72 121.20 116.73 2k1x s ILE 36 Ca 0.33 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.57 2k1x s ILE 36 Cb 0.07 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.66 2k1x s ILE 36 CO 0.12 0.00 0.00 -1.54 -1.91 0.00 0.00 174.94 171.61 2k1x n SER 37 N 5.39 0.00 -4.32 4.50 3.41 -1.19 -4.03 113.62 117.38 2k1x n SER 37 Ca -0.07 -0.75 -0.25 0.00 -0.26 0.00 0.00 58.87 57.53 2k1x n SER 37 Cb 0.50 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.26 2.77 -0.21 4.04 0.15 -1.20 -3.13 113.70 115.85 2k1x s SER 38 Ca 0.00 -0.71 0.02 0.00 0.70 0.00 0.00 55.95 55.96 2k1x s SER 38 Cb 0.00 -0.16 0.04 0.00 -1.71 0.00 0.00 66.02 64.19 2k1x s SER 38 CO 0.00 0.09 -0.15 -0.63 1.20 0.00 0.00 173.24 173.76 2k1x s ILE 39 N -1.14 2.01 -0.24 6.45 1.09 0.80 -2.49 121.20 127.68 2k1x s ILE 39 Ca 0.09 -1.21 -0.05 0.00 -1.10 0.00 0.00 60.65 58.37 2k1x s ILE 39 Cb -0.10 -1.98 -0.01 0.00 -1.06 0.00 0.00 42.46 39.30 2k1x s ILE 39 CO 0.05 0.25 0.00 -0.75 -0.10 0.00 0.00 174.94 174.39 2k1x s LYS 40 N 1.24 3.41 -0.11 2.79 2.20 -1.09 -1.13 119.74 127.05 2k1x s LYS 40 Ca -0.02 -0.62 -0.05 0.00 -0.36 0.00 0.00 55.97 54.93 2k1x s LYS 40 Cb -0.16 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 2k1x s LYS 40 CO -0.09 -0.23 0.08 0.08 -0.36 0.00 0.00 175.35 174.83 2k1x s VAL 41 N 1.52 5.00 -0.30 4.02 1.01 -1.06 -3.47 120.40 127.12 2k1x s VAL 41 Ca 0.05 0.02 0.18 0.00 0.00 0.00 0.00 61.98 62.23 2k1x s VAL 41 Cb -0.15 -3.16 0.45 0.00 0.00 0.00 0.00 36.38 33.52 2k1x s VAL 41 CO -0.01 0.60 1.34 1.17 0.00 0.00 0.00 175.10 178.21 2k1x n LYS 42 N 2.17 1.51 0.00 2.72 0.00 -1.26 -2.29 118.16 121.02 2k1x n LYS 42 Ca -0.19 -2.27 0.00 0.00 0.00 0.00 0.00 58.31 55.85 2k1x n LYS 42 Cb 0.54 -0.50 0.00 0.00 0.00 0.00 0.00 35.03 35.07 2k1x n LYS 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2k1x n SER 43 N -1.09 0.00 0.00 3.14 7.64 -1.26 -4.51 113.62 117.54 2k1x n SER 43 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2k1x n SER 43 Cb 0.84 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 2k1x n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k1x n GLY 44 N 0.00 2.03 3.17 0.23 0.00 -1.26 -4.70 105.19 104.66 2k1x n GLY 44 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 2k1x n GLY 44 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k1x s THR 45 N 0.00 -0.33 0.61 2.61 -1.32 -1.25 -3.38 115.64 112.57 2k1x s THR 45 Ca 0.00 0.17 -0.05 0.00 -1.21 0.00 0.00 61.69 60.60 2k1x s THR 45 Cb 0.00 -0.55 0.13 0.00 -1.51 0.00 0.00 72.50 70.57 2k1x s THR 45 CO 0.00 0.07 0.83 0.79 -2.21 0.00 0.00 174.62 174.10 2k1x n TRP 46 N 4.91 -3.46 -3.80 9.09 8.01 -0.88 -4.51 117.44 126.80 2k1x n TRP 46 Ca -0.14 -1.10 -0.24 0.00 -1.31 0.00 0.00 57.50 54.71 2k1x n TRP 46 Cb 0.52 -0.62 -0.17 0.00 -2.01 0.00 0.00 31.31 29.02 2k1x n TRP 46 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 2k1x s ARG 47 N -4.68 0.80 -0.16 -0.99 3.00 -1.13 -2.09 118.95 113.70 2k1x s ARG 47 Ca 0.51 0.03 -0.08 0.00 0.00 0.00 0.00 55.73 56.19 2k1x s ARG 47 Cb -0.02 -1.11 -0.04 0.00 0.00 0.00 0.00 34.95 33.78 2k1x s ARG 47 CO 0.35 -0.30 0.10 -0.06 0.00 0.00 0.00 175.30 175.39 2k1x s PHE 48 N 1.92 3.40 -0.03 -0.53 0.40 -0.05 -2.62 117.98 120.46 2k1x s PHE 48 Ca 0.05 0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 56.67 2k1x s PHE 48 Cb -0.12 -2.04 0.03 0.00 0.51 0.00 0.00 43.02 41.39 2k1x s PHE 48 CO -0.06 0.39 0.04 1.52 0.70 0.00 0.00 175.22 177.81 2k1x s TYR 49 N -0.13 0.08 -0.78 0.36 -0.85 -0.93 -2.19 117.35 112.91 2k1x s TYR 49 Ca 0.09 0.16 -0.09 0.00 -0.52 0.00 0.00 57.07 56.71 2k1x s TYR 49 Cb -0.12 -0.35 0.20 0.00 0.38 0.00 0.00 41.96 42.08 2k1x s TYR 49 CO 0.01 -0.13 0.67 -1.21 -1.52 0.00 0.00 175.55 173.36 2k1x s GLU 50 N 1.45 3.23 0.00 -3.49 2.02 -1.26 -2.26 118.70 118.40 2k1x s GLU 50 Ca -0.04 -2.60 0.00 0.00 0.02 0.00 0.00 54.97 52.35 2k1x s GLU 50 Cb -0.13 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 29.96 2k1x s GLU 50 CO -0.03 -1.24 0.00 0.66 0.02 0.00 0.00 175.26 174.67 2k1x n TYR 51 N 3.58 0.00 -0.87 1.61 4.01 -0.74 -4.38 117.16 120.37 2k1x n TYR 51 Ca 0.13 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.54 2k1x n TYR 51 Cb 0.42 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.58 2k1x n TYR 51 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 2k1x n ILE 52 N 3.77 0.51 -1.03 -0.72 2.08 -1.26 -4.02 119.36 118.69 2k1x n ILE 52 Ca 0.00 -0.18 -0.28 0.00 0.56 0.00 0.00 62.75 62.85 2k1x n ILE 52 Cb 0.00 -0.80 -0.05 0.00 -0.75 0.00 0.00 39.64 38.04 2k1x n ILE 52 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 2k1x n ASN 53 N -2.11 6.68 0.00 4.38 6.94 -1.26 -2.79 115.26 127.09 2k1x n ASN 53 Ca 0.09 -2.44 0.00 0.00 -0.02 0.00 0.00 54.58 52.22 2k1x n ASN 53 Cb 0.52 -1.33 0.00 0.00 -2.36 0.00 0.00 39.78 36.61 2k1x n ASN 53 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k1x n TYR 54 N 3.61 0.00 -2.14 -2.53 0.18 -1.26 -5.16 117.16 109.86 2k1x n TYR 54 Ca 0.59 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.37 2k1x n TYR 54 Cb 0.29 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.25 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 -0.42 5.14 0.00 -7.48 0.00 -1.12 -5.16 105.19 96.15 2k1x n GLY 55 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.37 3.70 -0.02 0.00 -1.26 -4.36 105.19 101.87 2k1x n GLY 56 Ca 0.00 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.45 4.37 -0.45 1.61 1.04 -1.26 -4.93 118.95 118.87 2k1x s ARG 57 Ca 0.00 1.78 -0.17 0.00 -1.04 0.00 0.00 55.73 56.29 2k1x s ARG 57 Cb 0.00 -3.48 0.04 0.00 -2.04 0.00 0.00 34.95 29.47 2k1x s ARG 57 CO 0.00 -0.40 0.48 -0.47 -0.04 0.00 0.00 175.30 174.86 2k1x s TYR 58 N 1.81 3.15 -0.22 5.89 5.04 -1.26 -4.02 117.35 127.74 2k1x s TYR 58 Ca 0.59 -0.51 -0.04 0.00 -2.44 0.00 0.00 57.07 54.67 2k1x s TYR 58 Cb -0.28 -3.10 0.07 0.00 0.35 0.00 0.00 41.96 39.01 2k1x s TYR 58 CO 0.26 -0.80 0.09 -0.46 -1.34 0.00 0.00 175.55 173.30 2k1x s TRP 59 N 2.17 0.54 0.28 4.97 -0.00 -0.93 -5.02 118.94 120.95 2k1x s TRP 59 Ca 0.11 -0.69 -0.00 0.00 -0.00 0.00 0.00 56.10 55.52 2k1x s TRP 59 Cb -0.19 -0.90 -0.04 0.00 -0.00 0.00 0.00 33.47 32.34 2k1x s TRP 59 CO 0.12 -0.64 0.48 0.16 -0.00 0.00 0.00 176.95 177.06 2k1x s ASP 60 N 2.02 6.35 -0.01 5.86 1.47 -1.26 -0.87 116.67 130.23 2k1x s ASP 60 Ca 0.04 0.43 0.02 0.00 1.18 0.00 0.00 52.55 54.21 2k1x s ASP 60 Cb -0.16 -2.02 -0.00 0.00 -0.34 0.00 0.00 42.92 40.39 2k1x s ASP 60 CO -0.17 -0.17 -0.05 -1.48 0.68 0.00 0.00 175.17 173.98 2k1x s LEU 61 N -3.83 1.94 0.00 2.11 2.34 -0.89 -4.95 118.68 115.41 2k1x s LEU 61 Ca 0.39 -0.09 0.00 0.00 0.06 0.00 0.00 54.13 54.49 2k1x s LEU 61 Cb -0.10 -0.28 0.00 0.00 -0.56 0.00 0.00 46.19 45.25 2k1x s LEU 61 CO 0.32 0.05 0.00 0.61 -1.06 0.00 0.00 176.35 176.27 2k1x n GLY 62 N 3.05 2.22 3.62 -3.48 0.00 -1.26 -2.08 105.19 107.25 2k1x n GLY 62 Ca -0.14 -2.09 -0.46 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.52 2.09 0.00 1.61 -0.02 -1.22 -4.59 135.00 132.35 2k1x n PRO 63 Ca 0.00 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2k1x n PRO 63 Cb 0.00 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 30.63 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 5.13 3.76 3.84 -1.23 0.00 -0.97 -4.96 105.19 110.77 2k1x n GLY 64 Ca 0.27 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.40 3.91 -0.06 1.61 2.12 -1.26 -2.57 118.70 120.04 2k1x s GLU 65 Ca 0.00 0.94 -0.31 0.00 0.36 0.00 0.00 54.97 55.96 2k1x s GLU 65 Cb 0.00 -2.13 0.07 0.00 0.26 0.00 0.00 34.13 32.33 2k1x s GLU 65 CO 0.00 -0.30 0.69 -0.47 -0.54 0.00 0.00 175.26 174.64 2k1x s TYR 66 N -2.68 -0.66 -0.85 5.30 5.04 -0.28 -4.99 117.35 118.24 2k1x s TYR 66 Ca 0.59 1.15 -0.05 0.00 -2.44 0.00 0.00 57.07 56.32 2k1x s TYR 66 Cb -0.10 0.40 0.21 0.00 0.35 0.00 0.00 41.96 42.83 2k1x s TYR 66 CO 0.34 -0.59 0.74 -1.54 -1.34 0.00 0.00 175.55 173.15 2k1x s SER 67 N -1.11 6.09 -0.31 4.32 1.04 -1.26 -0.14 113.70 122.34 2k1x s SER 67 Ca -0.10 -3.34 -0.24 0.00 0.48 0.00 0.00 55.95 52.74 2k1x s SER 67 Cb -0.00 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.14 2k1x s SER 67 CO 0.09 -0.30 0.84 -0.44 0.98 0.00 0.00 173.24 174.41 2k1x s SER 68 N 0.59 6.72 0.00 7.02 0.01 -1.18 -4.81 113.70 122.05 2k1x s SER 68 Ca 0.24 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.24 2k1x s SER 68 Cb -0.11 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2k1x s SER 68 CO -0.09 -0.66 0.36 1.33 0.41 0.00 0.00 173.24 174.59 2k1x n VAL 69 N 5.58 0.00 -1.97 3.43 0.24 -1.26 -3.20 118.33 121.15 2k1x n VAL 69 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2k1x n VAL 69 Cb 0.48 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 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 0.00 -0.44 7.34 0.28 -1.26 -4.79 120.64 121.77 2k1x n GLU 70 Ca 0.00 -0.11 -0.01 0.00 -0.16 0.00 0.00 57.16 56.88 2k1x n GLU 70 Cb 0.50 -0.06 -0.01 0.00 1.43 0.00 0.00 31.44 33.30 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 0.00 -0.12 -0.00 -1.84 7.64 -1.26 -4.94 113.62 113.10 2k1x n SER 71 Ca 0.00 -0.84 -0.15 0.00 1.01 0.00 0.00 58.87 58.90 2k1x n SER 71 Cb 0.52 0.04 -0.14 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.58 0.00 -0.43 0.00 -1.91 -3.47 119.26 114.03 2k1x h ALA 72 Ca -0.07 -1.40 0.00 0.00 0.00 0.00 0.00 54.91 53.45 2k1x h ALA 72 Cb 0.79 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2k1x h ALA 72 CO -0.03 1.43 0.00 0.41 0.00 0.00 0.00 179.25 181.05 2k1x n GLY 73 N 1.74 0.00 2.71 0.00 0.00 -1.26 -4.82 105.19 103.56 2k1x n GLY 73 Ca -0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 2.47 -0.03 -0.61 -0.00 -1.26 -4.67 119.36 115.27 2k1x n ILE 74 Ca 0.00 -5.35 -0.17 0.00 -0.00 0.00 0.00 62.75 57.23 2k1x n ILE 74 Cb 0.00 -1.52 -0.13 0.00 -0.00 0.00 0.00 39.64 37.99 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 3.35 0.12 0.00 6.28 0.13 -1.87 -3.46 132.00 136.54 2k1x h PRO 75 Ca 0.14 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2k1x h PRO 75 Cb 0.60 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2k1x h PRO 75 CO 0.78 1.10 0.00 -3.47 -0.23 0.00 0.00 178.00 176.18 2k1x n ASP 76 N -4.37 0.00 0.00 1.44 2.03 -1.26 -5.04 116.55 109.35 2k1x n ASP 76 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2k1x n ASP 76 Cb 0.65 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 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 0.00 0.00 -3.83 1.67 3.02 -1.26 -4.41 115.26 110.45 2k1x n ASN 77 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2k1x n ASN 77 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2k1x n ASN 77 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2k1x n SER 78 N 0.84 3.32 -3.15 6.41 3.41 -1.24 -4.35 113.62 118.85 2k1x n SER 78 Ca 0.00 -2.77 -0.22 0.00 -0.26 0.00 0.00 58.87 55.62 2k1x n SER 78 Cb 0.00 -1.44 -0.06 0.00 -0.26 0.00 0.00 64.21 62.45 2k1x n SER 78 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2k1x n ILE 79 N 5.83 -0.62 -3.54 -1.33 2.08 -1.26 -5.07 119.36 115.45 2k1x n ILE 79 Ca 0.50 -3.80 -0.12 0.00 0.56 0.00 0.00 62.75 59.89 2k1x n ILE 79 Cb 0.41 -1.60 -0.05 0.00 -0.75 0.00 0.00 39.64 37.66 2k1x n ILE 79 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2k1x s SER 80 N -1.27 -0.45 0.18 4.38 0.15 -1.26 -1.78 113.70 113.66 2k1x s SER 80 Ca 0.35 0.37 -0.24 0.00 0.70 0.00 0.00 55.95 57.14 2k1x s SER 80 Cb 0.18 0.39 0.06 0.00 -1.71 0.00 0.00 66.02 64.94 2k1x s SER 80 CO -0.12 -0.49 0.93 -0.55 1.20 0.00 0.00 173.24 174.21 2k1x s SER 81 N -1.49 -0.15 -0.17 5.45 0.15 -0.96 -4.66 113.70 111.86 2k1x s SER 81 Ca -0.02 -0.50 -0.13 0.00 0.70 0.00 0.00 55.95 55.99 2k1x s SER 81 Cb -0.00 0.54 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 2k1x s SER 81 CO 0.01 -1.01 0.43 0.72 1.20 0.00 0.00 173.24 174.59 2k1x s PHE 82 N -3.17 -0.54 -0.33 3.44 -0.71 -1.26 -2.20 117.98 113.21 2k1x s PHE 82 Ca 0.13 1.24 -0.13 0.00 -1.04 0.00 0.00 56.93 57.13 2k1x s PHE 82 Cb -0.02 0.22 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 2k1x s PHE 82 CO 0.04 -0.28 0.28 1.03 -1.34 0.00 0.00 175.22 174.95 2k1x s ARG 83 N 0.72 3.62 -0.62 1.99 1.81 -1.08 -4.88 118.95 120.51 2k1x s ARG 83 Ca -0.04 -0.47 -0.26 0.00 -1.72 0.00 0.00 55.73 53.24 2k1x s ARG 83 Cb -0.05 -3.77 0.04 0.00 -0.45 0.00 0.00 34.95 30.72 2k1x s ARG 83 CO -0.05 -0.42 1.08 -0.65 -0.68 0.00 0.00 175.30 174.58 2k1x s GLN 84 N 1.85 3.31 0.00 3.54 1.11 -1.26 -2.84 119.66 125.37 2k1x s GLN 84 Ca 0.09 -0.23 0.16 0.00 0.01 0.00 0.00 55.36 55.39 2k1x s GLN 84 Cb -0.17 -4.10 0.13 0.00 -1.01 0.00 0.00 33.01 27.86 2k1x s GLN 84 CO 0.11 -1.74 1.02 0.44 0.01 0.00 0.00 175.29 175.13